Compound Identification
SMILES
COC(=O)C1=C(Cl)C=CC(=C1)C1=CC=C(O1)C=C(C#N)C(N)=O
InChIKey
InChIKey=PVCYOFKHQWILHY-UHFFFAOYSA-N
Formula
C16H11ClN2O4
Mass
330.72
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
2-halobenzoic acids and derivatives Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous halides Methyl esters Heteroaromatic compounds Furans Primary carboxylic acid amides Oxacyclic compounds Nitriles Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Methyl ester - Furan - Carboxamide group - Carboxylic acid ester - Primary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Cyanide - Organic oxide - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available