Compound Identification
SMILES
COC(=O)C1=CN(CC2=CC=C(C=C2)C#N)C=C1CC1=CC(=CC=C1)C#N
InChIKey
InChIKey=AYJPRBVKPJFWAK-UHFFFAOYSA-N
Formula
C22H17N3O2
Mass
355.397
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
Pyrrole carboxylic acids and derivatives Substituted pyrroles Vinylogous amides Methyl esters Heteroaromatic compounds Nitriles Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Pyrrole-3-carboxylic acid or derivatives - Substituted pyrrole - Pyrrole - Methyl ester - Vinylogous amide - Heteroaromatic compound - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Nitrile - Carbonitrile - Azacycle - Organic nitrogen compound - Cyanide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - 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