Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C(=C/Nc1ccc(cc1)C(C)C)\C(=O)c1ccccc1Cl

InChIKey

InChIKey=JWIFHBBKAANFSJ-AQTBWJFISA-N

Formula

C21H22ClNO3

Mass

371.86

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Cumenes

Intermediate Tree Nodes

Not available

Direct Parent

Cumenes

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Cumene - Phenylpropane - Aryl ketone - Aniline or substituted anilines - Benzoyl - Halobenzene - Fatty acid ester - Beta-keto acid - Secondary aliphatic/aromatic amine - Chlorobenzene - Fatty acyl - Aryl halide - Alpha-branched alpha,beta-unsaturated-ketone - Keto acid - Aryl chloride - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Vinylogous halide - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Ketone - Enamine - Secondary amine - Carboxylic acid derivative - Allylamine - Monocarboxylic acid or derivatives - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.

External Descriptors

Not available

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