Structure Information
Structure

Compound Identification

SMILES

CCCC(=O)N(CC1=C(Cl)C=C(C=C1)C#N)C1=C(NC(C)(C)C)C(=O)C1=O

InChIKey

InChIKey=VNKLOWYKMDLFEM-UHFFFAOYSA-N

Formula

C20H22ClN3O3

Mass

387.86

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzonitriles

Intermediate Tree Nodes

Not available

Direct Parent

Benzonitriles

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Benzonitrile - Secondary aliphatic/aromatic amine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous amide - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Cyclic ketone - Secondary amine - Carboxylic acid derivative - Carbonitrile - Nitrile - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.

External Descriptors

Not available

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