Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CN(CC2=CC=C(C=C2)C#N)C=C1CC1=CC(=CC=C1)C#N

InChIKey

InChIKey=AYJPRBVKPJFWAK-UHFFFAOYSA-N

Formula

C22H17N3O2

Mass

355.397

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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 - Pyrrole-3-carboxylic acid or derivatives - Substituted pyrrole - Pyrrole - Methyl ester - Vinylogous amide - Heteroaromatic compound - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Nitrile - Carbonitrile - Azacycle - Organic nitrogen compound - Cyanide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - 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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