Structure Information
Structure

Compound Identification

SMILES

COC1=C(C=C(Cl)C=C1)C(=O)NNC(=O)COC(=O)C=CC1=CC=C(Br)O1

InChIKey

InChIKey=PLQUBGDZTACFNF-UHFFFAOYSA-N

Formula

C17H14BrClN2O6

Mass

457.66

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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 - Phenol ether - Methoxybenzene - Benzoyl - Anisole - Phenoxy compound - Fatty acid ester - Chlorobenzene - Halobenzene - Alkyl aryl ether - Fatty acyl - Aryl halide - Aryl chloride - Aryl bromide - Heteroaromatic compound - Furan - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid hydrazide - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organobromide - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organic oxide - 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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