Structure Information
Structure

Compound Identification

SMILES

[O-]C(=O)C(\NC(=O)C1=CC=CC=C1Br)=C\C1=CC=CO1

InChIKey

InChIKey=XWRRIIFIPMDCMP-WQLSENKSSA-M

Formula

C14H9BrNO4

Mass

335.134

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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 heteromonocyclic compounds

Substituents

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