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Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C(Br)=C(C=C(NC(=O)C2=CC=CC=C2)C(O)=O)C=C1

InChIKey

InChIKey=TYPNITVHOXISAO-UHFFFAOYSA-N

Formula

C17H14BrNO5

Mass

392.205

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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 homomonocyclic 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 - Hydroxycinnamic acid - Hydroxycinnamic acid or derivatives - Alpha-amino acid or derivatives - Methoxyphenol - Anisole - Benzoyl - Phenoxy compound - 2-halophenol - Methoxybenzene - Phenol ether - 2-bromophenol - Phenol - Bromobenzene - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Halobenzene - Aryl halide - Aryl bromide - Carboxamide group - Secondary carboxylic acid amide - Ether - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organic oxide - Aromatic homomonocyclic 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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