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SDF/Mol File 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

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate is available for download. Click the link below to start downloading.

Download structure data file (SDF/MOL File)

The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.

The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.

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
Ball-and-stick model of (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate

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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 named differently depending on the various situations of industrial applications. 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 registry numbers are listed below, 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 (2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2-(2,3,4,5,6-pentafluorophenoxy)propanoate formula?
C23H12F5NO5
How many atoms and what elements are included in 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 in 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 molar mass?
477.337096 g/mol
What’s the SMILES structure 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 code 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 format 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

29 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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