Compound Identification
SMILES
COC(=O)CC\C(C)=C\CC1=C(OC)C(C)=C(C)C(=C1)C#N
InChIKey
InChIKey=NULRALPUYVLLII-WUXMJOGZSA-N
Formula
C18H23NO3
Mass
301.386
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
o-Xylenes Phenoxy compounds Methoxybenzenes Anisoles Fatty acid methyl esters Alkyl aryl ethers Methyl esters Nitriles Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxy compound - Anisole - Benzonitrile - O-xylene - Xylene - Methoxybenzene - Phenol ether - Alkyl aryl ether - Fatty acid ester - Fatty acid methyl ester - Fatty acyl - Methyl ester - Carboxylic acid ester - Ether - Carboxylic acid derivative - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Cyanide - Organic oxygen compound - 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