Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(C)N(CC2=CC=C(C=C2)C(O)=O)C(=O)NC1C1=CC=C(Br)C=C1

InChIKey

InChIKey=HNIAGNAVBKGWQD-UHFFFAOYSA-N

Formula

C21H19BrN2O5

Mass

459.296

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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

Not available

Direct Parent

Benzoic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzoic acid - Benzoyl - Bromobenzene - Pyrimidone - Halobenzene - Aryl bromide - Aryl halide - Pyrimidine - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Urea - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organobromide - Hydrocarbon derivative - Organohalogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.

External Descriptors

Not available

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