Compound Identification
SMILES
COC(=O)C1=C(C)N(C(=O)N[C@H]1C1=CC=C(Cl)C=C1)C1=CC=CC(=C1)C(O)=O
InChIKey
InChIKey=FDLUCGFEQPVMPI-KRWDZBQOSA-N
Formula
C20H17ClN2O5
Mass
400.82
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 acids
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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 acids
Alternative Parents
Benzoyl derivatives Pyrimidones Chlorobenzenes Aryl chlorides Hydropyrimidines Vinylogous amides Methyl esters Enoate esters Ureas Tertiary amines Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid - Benzoyl - Halobenzene - Chlorobenzene - Pyrimidone - 1,2,3,4-tetrahydropyrimidine - Hydropyrimidine - Aryl chloride - Pyrimidine - Aryl halide - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Urea - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Amino acid - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors
Not available