Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(NC(=O)C2=C(OC)C=CC(Cl)=C2)SC=C1C1=CC=C(Br)C=C1

InChIKey

InChIKey=OEYKAJXYCNHXME-UHFFFAOYSA-N

Formula

C20H15BrClNO4S

Mass

480.76

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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

Halobenzoic acids and derivatives

Direct Parent

3-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

3-halobenzoic acid or derivatives - Benzamide - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Thiophene carboxylic acid or derivatives - Phenol ether - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous amide - Methyl ester - Thiophene - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.

External Descriptors

Not available

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