Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=CC=C(C=C1)C(=CC1=CC=C(O1)C1=CC(C(O)=O)=C(Cl)C=C1)C#N

InChIKey

InChIKey=ZUFIQCPWFFQAFX-UHFFFAOYSA-N

Formula

C21H12ClNO5

Mass

393.78

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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

Halobenzoic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Halobenzoic acid - 2-halobenzoic acid - 2-halobenzoic acid or derivatives - Benzoic acid - Benzoyl - 1-carboxy-2-haloaromatic compound - Styrene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Heteroaromatic compound - Furan - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Cyanide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring.

External Descriptors

Not available

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