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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
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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 Nitriles Carboximidamides Azacyclic compounds Alkanolamines Primary alcohols Organic cations
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