Structure Information
Structure

Compound Identification

SMILES

COC(=O)C[C@@H]([C@@H](NC(=O)C1=CC=CC=C1Cl)C(=O)OC)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=BLAAUXHQTCGYKJ-CRAIPNDOSA-N

Formula

C20H19ClN2O7

Mass

434.83

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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 homomonocyclic compounds

Substituents

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