Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=C(C=C1)C(=O)O\C(=C\C1=NC2=CC=CC=C2N1CC1=CC=CC=C1Cl)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=FEALOMNWGXHULI-WPWMEQJKSA-N

Formula

C29H19Cl3N2O2

Mass

533.83

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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

Not available

Direct Parent

Benzoic acid esters

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoate ester - Benzyloxycarbonyl - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzimidazole - Benzoyl - Styrene - Chlorobenzene - Halobenzene - Aryl halide - N-substituted imidazole - Aryl chloride - Azole - Heteroaromatic compound - Imidazole - Enol ester - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.

External Descriptors

Not available

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