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Structure & Deep Data of (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate (C23H12F5NO5)

Identification of (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate Chemical Compound

2D chemical structure image of (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate
Chemical Formula C23H12F5NO5
Molecular Weight 477.337096 g/mol
IUPAC Name (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate
SMILES String CC(Oc1c(F)c(F)c(F)c(F)c1F)C(=O)Oc3ccc2C(=O)C(Oc2c3)=Cc4cccnc4
InChI InChI=1S/C23H12F5NO5/c1-10(32-22-19(27)17(25)16(24)18(26)20(22)28)23(31)33-12-4-5-13-14(8-12)34-15(21(13)30)7-11-3-2-6-29-9-11/h2-10H,1H3/b15-7-
InChIKey VFVDMBFCHREJAI-CHHVJCJISA-N

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate molecule contains a total of 49 bond(s). There are 37 non-H bond(s), 21 multiple bond(s), 6 rotatable bond(s), 3 double bond(s), 18 aromatic bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 1 nine-membered ring(s), 1 ester(s) (aliphatic), 1 ketone(s) (aromatic), 2 ether(s) (aromatic), and 1 Pyridine(s). Images of the chemical structure of (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate are given below:

2D chemical structure image of (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate
2-dimensional (2D) chemical structure image of (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate
3D chemical structure image of (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate
3-dimensional (3D) chemical structure image of (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate

The 2D chemical structure image of (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate. Download structure data file (SDF/MOL) file of this compound.


Interactive 3D Visualization

For a better understanding of the chemical structure, an interactive 3D visualization of (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate is provided here.

The (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate molecule can be increased or decreased by scrolling the mouse wheel.

The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.


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Additional Information for Identifying (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate Molecule

  • Other names (synonyms) or registry numbers of (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate

    The (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate including the various registry numbers, if available:



    None available.


(2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate?
C23H12F5NO5
How many atoms and what are the elements included the (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate molecule?
46 atom(s) - 12 Hydrogen atom(s), 23 Carbon atom(s), 1 Nitrogen atom(s), 5 Oxygen atom(s), and 5 Fluorine atom(s)
How many chemical bonds and what kind of bonds are included the (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate structure?
49 bond(s) - 37 non-H bond(s), 21 multiple bond(s), 6 rotatable bond(s), 3 double bond(s), 18 aromatic bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 1 nine-membered ring(s), 1 ester(s) (aliphatic), 1 ketone(s) (aromatic), 2 ether(s) (aromatic), and 1 Pyridine(s)
What’s the (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate’s molecular weight?
477.337096 g/mol
What’s the SMILES code of (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate?
CC(Oc1c(F)c(F)c(F)c(F)c1F)C(=O)Oc3ccc2C(=O)C(Oc2c3)=Cc4cccnc4
What’s the InChI string of (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate?
InChI=1S/C23H12F5NO5/c1-10(32-22-19(27)17(25)16(24)18(26)20(22)28)23(31)33-12-4-5-13-14(8-12)34-15(21(13)30)7-11-3-2-6-29-9-11/h2-10H,1H3/b15-7-
What’s the InChIKey code of (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate?
VFVDMBFCHREJAI-CHHVJCJISA-N

40 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).

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