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
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 Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Carboximidamides Azacyclic compounds Organopnictogen compounds Organic oxides Carbonyl compounds Organic cations
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