Structure Information
Structure

Compound Identification

SMILES

COCC1=CC(C)=NC(NN=CC2=CC=C(O2)C2=CC(Cl)=C(C=C2)C(O)=O)=C1C#N

InChIKey

InChIKey=QQCAVQJSVOHHOY-UHFFFAOYSA-N

Formula

C21H17ClN4O4

Mass

424.84

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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

2-halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoyl - 1-carboxy-2-haloaromatic compound - 3-pyridinecarbonitrile - Chlorobenzene - Methylpyridine - Halobenzene - Aryl halide - Imidolactam - Pyridine - Aryl chloride - Furan - Vinylogous halide - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Oxacycle - Hydrazone - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Cyanide - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Hydrocarbon derivative - 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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