Compound Identification
SMILES
COC(=O)C[C@@H](N1C(C)=CC=C1C)C1=CC=C(C=C1)C#N
InChIKey
InChIKey=CTZRSGIAWZSOSQ-MRXNPFEDSA-N
Formula
C17H18N2O2
Mass
282.343
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
Fatty acid esters Substituted pyrroles Methyl esters Heteroaromatic compounds Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Fatty acid ester - Substituted pyrrole - Fatty acyl - Pyrrole - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Organoheterocyclic compound - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organic oxide - Organic nitrogen compound - Cyanide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - 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