Compound Identification
SMILES
COC1=CC=C(C=C1)[C@H]1CC(=O)C=C(C1)C1=CC=CC(=C1)C#N
InChIKey
InChIKey=UCRVGESFPVIBIG-QGZVFWFLSA-N
Formula
C20H17NO2
Mass
303.361
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
Phenoxy compounds Methoxybenzenes Anisoles Cyclohexenones Alkyl aryl ethers Nitriles Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxy compound - Anisole - Benzonitrile - Phenol ether - Methoxybenzene - Alkyl aryl ether - Cyclohexenone - Ketone - Cyclic ketone - Ether - Carbonitrile - Nitrile - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Cyanide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic 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