Structure Information
Structure

Compound Identification

SMILES

COC(=O)C[C@@H](N1C(C)=CC=C1C)C1=CC=C(C=C1)C#N

InChIKey

InChIKey=CTZRSGIAWZSOSQ-MRXNPFEDSA-N

Formula

C17H18N2O2

Mass

282.343

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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 heteromonocyclic compounds

Substituents

Benzonitrile - Fatty acid ester - Substituted pyrrole - Fatty acyl - Pyrrole - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Organoheterocyclic compound - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organic oxide - Organic nitrogen compound - Cyanide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteromonocyclic 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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