Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=KVWHGYYIMDBGKO-UHFFFAOYSA-N

Formula

C23H23N6O2

Mass

415.476

Export to:

JSON SDF CSV

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 - Carboxylic acid ester - Guanidine - Shiff base - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Azacycle - Carboximidamide - Organoheterocyclic compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - 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

Previous Back Next