Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=C(O)C=C(N\C=C2\C=C(CC3=CC=CC=C3)C=C(Br)C2=O)C=C1

InChIKey

InChIKey=UPNMLXCREDHTFP-QINSGFPZSA-N

Formula

C21H16BrNO4

Mass

426.266

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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

Hydroxybenzoic acid derivatives - Salicylic acid and derivatives - Aminosalicylic acids and derivatives

Direct Parent

Aminosalicylic acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

4-aminosalicylic acid - Aminosalicylic acid - Salicylic acid - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid - Quinomethane - M-aminophenol - O-quinomethane - Aminophenol - Aniline or substituted anilines - Benzoyl - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alpha-haloketone - Vinylogous acid - Vinylogous amide - Ketone - Cyclic ketone - Allylamine - Bromoalkene - Haloalkene - Carboxylic acid derivative - Carboxylic acid - Enamine - Vinyl halide - Vinyl bromide - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as aminosalicylic acids. These are salicylic acids carrying an amino group on the benzene ring.

External Descriptors

Not available

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