Structure & Deep Data of Cinidon-ethyl (C19H17Cl2NO4)
Identification of Cinidon-ethyl Chemical Compound
Chemical Formula | C19H17Cl2NO4 |
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Molecular Weight | 394.24798 g/mol |
IUPAC Name | ethyl (2Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-2,3,4,5,6,7-hexahydro-1H-isoindol-2-yl)phenyl]prop-2-enoate |
SMILES String | CCOC(=O)C(Cl)=Cc1cc(ccc1Cl)N3C(=O)C2=C(CCCC2)C3=O |
InChI | InChI=1S/C19H17Cl2NO4/c1-2-26-19(25)16(21)10-11-9-12(7-8-15(11)20)22-17(23)13-5-3-4-6-14(13)18(22)24/h7-10H,2-6H2,1H3/b16-10- |
InChIKey | NNKKTZOEKDFTBU-YBEGLDIGSA-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 Cinidon-ethyl molecule contains a total of 45 bond(s). There are 28 non-H bond(s), 11 multiple bond(s), 5 rotatable bond(s), 5 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 nine-membered ring(s), 1 ester(s) (aliphatic), and 1 imide(s) (-thio). Images of the chemical structure of Cinidon-ethyl are given below:
The 2D chemical structure image of Cinidon-ethyl is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Cinidon-ethyl 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 Cinidon-ethyl 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 Cinidon-ethyl. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of Cinidon-ethyl is provided here.
The Cinidon-ethyl 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 Cinidon-ethyl 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 Cinidon-ethyl 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 Cinidon-ethyl Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Cinidon-ethyl
The SMILES string of Cinidon-ethyl is CCOC(=O)C(Cl)=Cc1cc(ccc1Cl)N3C(=O)C2=C(CCCC2)C3=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Cinidon-ethyl.
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Structure Data File (SDF/MOL File) of Cinidon-ethyl
The structure data file (SDF/MOL File) of Cinidon-ethyl is available for download in the SDF page of Cinidon-ethyl, which provides the information about the atoms, bonds, connectivity and coordinates of Cinidon-ethyl. The Cinidon-ethyl structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Cinidon-ethyl
The molecular formula of Cinidon-ethyl is available in chemical formula page of Cinidon-ethyl, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of Cinidon-ethyl
The molecular weight of Cinidon-ethyl is available in molecular weight page of Cinidon-ethyl, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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Other names (synonyms) or registry numbers of Cinidon-ethyl
The Cinidon-ethyl compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Cinidon-ethyl including the various registry numbers, if available:
- cis-Ethyl 2-chloro-3-[2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]-2-propenoate
- Cinidon-ethyl
- (Z)-2-chloro-3-[2-chloro-5-(1,3-diketo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]acrylic acid ethyl ester
- 2-chloro-3-[2-chloro-5-(1,3-diketo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]acrylic acid ethyl ester
- (Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]prop-2-enoic acid ethyl ester
- 2-chloro-3-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]prop-2-enoic acid ethyl ester
- ethyl 2-chloro-3-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]prop-2-enoate
Cinidon-ethyl Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of Cinidon-ethyl? |
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C19H17Cl2NO4 |
How many atoms and what are the elements included the Cinidon-ethyl molecule? |
43 atom(s) - 17 Hydrogen atom(s), 19 Carbon atom(s), 1 Nitrogen atom(s), 4 Oxygen atom(s), and 2 Chlorine atom(s) |
How many chemical bonds and what kind of bonds are included the Cinidon-ethyl structure? |
45 bond(s) - 28 non-H bond(s), 11 multiple bond(s), 5 rotatable bond(s), 5 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 nine-membered ring(s), 1 ester(s) (aliphatic), and 1 imide(s) (-thio) |
What’s the Cinidon-ethyl’s molecular weight? |
394.24798 g/mol |
What’s the SMILES code of Cinidon-ethyl? |
CCOC(=O)C(Cl)=Cc1cc(ccc1Cl)N3C(=O)C2=C(CCCC2)C3=O |
What’s the InChI string of Cinidon-ethyl? |
InChI=1S/C19H17Cl2NO4/c1-2-26-19(25)16(21)10-11-9-12(7-8-15(11)20)22-17(23)13-5-3-4-6-14(13)18(22)24/h7-10H,2-6H2,1H3/b16-10- |
What’s the InChIKey code of Cinidon-ethyl? |
NNKKTZOEKDFTBU-YBEGLDIGSA-N |
128
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).