Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=CC(\C=C(/NC(=O)C2=CC=CC=C2Cl)C(=O)OCC2=CC=CO2)=C1

InChIKey

InChIKey=DZIPQCNYPMSHSR-UNOMPAQXSA-N

Formula

C21H15ClN2O6

Mass

426.81

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Benzamides

Direct Parent

Hippuric acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Cinnamic acid or derivatives - Cinnamic acid ester - Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Halobenzene - Fatty acid ester - Chlorobenzene - Aryl chloride - Aryl halide - Fatty acyl - Furan - Heteroaromatic compound - Vinylogous halide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Oxacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.

External Descriptors

Not available

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