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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzonitriles
Intermediate Tree Nodes
Not available
Direct Parent
Benzonitriles
Alternative Parents
P-quinodimethanes Imidazolines Shiff bases Guanidines Propargyl-type 1,3-dipolar organic compounds Nitriles Carboximidamides Azacyclic compounds Alkanolamines Primary alcohols Organic salts Organic cations
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