Structure Information
Structure

Compound Identification

SMILES

CC1=C(NC2=NC(=O)C(S2)=CC2=CC(Br)=CC=C2)C=C(C=C1)C(O)=O

InChIKey

InChIKey=NMZBBBHZYRZQKN-UHFFFAOYSA-N

Formula

C18H13BrN2O3S

Mass

417.28

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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

Aminobenzoic acids and derivatives

Direct Parent

Aminobenzoic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Aminobenzoic acid - Benzoic acid - Benzoyl - Aniline or substituted anilines - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Aryl halide - Meta-thiazoline - Isothiourea - N-acylimine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety.

External Descriptors

Not available

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