Compound Identification
SMILES
CCOC(=O)C(=C\N\C(=C/OC(=O)C1=CC=C(Cl)C=C1)C(=O)OC)\C1=CC=CC=N1
InChIKey
InChIKey=NFUDWZFISNDNPT-GPWQLRHTSA-N
Formula
C21H19ClN2O6
Mass
430.84
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
4-halobenzoic acids and derivatives Alpha amino acids and derivatives Benzoyl derivatives Chlorobenzenes Pyridines and derivatives Aryl chlorides Dicarboxylic acids and derivatives Vinylogous amides Methyl esters Heteroaromatic compounds Enol esters Enoate esters Azacyclic compounds Enamines Dialkylamines Organochlorides Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Pyridine - Heteroaromatic compound - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Enol ester - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Secondary aliphatic amine - Enamine - Organooxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organic oxide - Organochloride - Organohalogen compound - 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