Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(\NC(=O)C1=CC(Br)=CC=C1)=C\C1=CC=C(OC(C)C)C=C1

InChIKey

InChIKey=QRXZICGMBQVLRZ-WQRHYEAKSA-N

Formula

C20H20BrNO4

Mass

418.287

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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

N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Cinnamic acid or derivatives - Cinnamic acid ester - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Alpha-amino acid or derivatives - Phenoxy compound - Phenol ether - Benzoyl - Fatty acid ester - Halobenzene - Bromobenzene - Alkyl aryl ether - Aryl halide - Fatty acyl - Aryl bromide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organic nitrogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic oxygen 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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