Compound Identification
SMILES
COC(=O)C1=C(Cl)C=CC(=C1)C1=CC=C(O1)\C=C1\C(=O)NC(=O)C(C#N)=C1C
InChIKey
InChIKey=MZPCPPAFHQKUBV-MDWZMJQESA-N
Formula
C20H13ClN2O5
Mass
396.78
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
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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 Hydropyridines N-unsubstituted carboxylic acid imides Methyl esters Vinylogous halides Heteroaromatic compounds Furans Dicarboximides Nitriles Monocarboxylic acids and derivatives Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Hydropyridine - Carboxylic acid imide, n-unsubstituted - Furan - Vinylogous halide - Methyl ester - Dicarboximide - Heteroaromatic compound - Carboxylic acid imide - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Cyanide - Organochloride - Carbonyl group - 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