Structure Information
Structure

Compound Identification

SMILES

[O-]C(=O)C(\NC(=O)C1=CC=CC=C1Br)=C\C1=CC2=C(OCO2)C=C1

InChIKey

InChIKey=KARCWJIHYZRGEU-QPEQYQDCSA-M

Formula

C17H11BrNO5

Mass

389.182

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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 - Hippuric acids and derivatives

Direct Parent

Hippuric acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Cinnamic acid - Cinnamic acid or derivatives - Coumaric acid or derivatives - Alpha-amino acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzodioxole - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous halide - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Oxacycle - Acetal - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Carbonyl group - Organobromide - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic anion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.

External Descriptors

Not available

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