Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=CC(NC2=C(NC(C)(C)C)C(=O)C2=O)=C1Cl)C#N

InChIKey

InChIKey=PKEZZXMLIZNDQN-UHFFFAOYSA-N

Formula

C16H16ClN3O2

Mass

317.77

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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 - Aniline or substituted anilines - Aminotoluene - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Toluene - Aryl halide - Aryl chloride - Primary aromatic amine - Vinylogous amide - Cyclic ketone - Secondary amine - Carbonitrile - Nitrile - Organic oxide - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Cyanide - Hydrocarbon derivative - 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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