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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=BDPYQAJKFGUXRH-UHFFFAOYSA-N

Formula

C21H20N6O

Mass

372.432

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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 - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary alcohol - Organic nitrogen compound - Organic oxygen compound - Cyanide - Alcohol - Organic salt - 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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