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Structure Information
Structure

Compound Identification

SMILES

OCCN(C1=NCCN1)[N+](C=C1C=CC(C=C1)=C=N)=CC1=CC=C(C=C1)C#N

InChIKey

InChIKey=GMVXAEPBBVUWPD-UHFFFAOYSA-N

Formula

C21H21N6O

Mass

373.439

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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 - P-quinodimethane - 2-imidazoline - Guanidine - Shiff base - Alkanolamine - Carbonitrile - Nitrile - Azacycle - Carboximidamide - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Cyanide - Organic oxygen compound - Primary alcohol - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Organic cation - 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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