Compound Identification
SMILES
COC(=O)CC(=O)C[C@](O)(CCC1=CC=C(C=C1)C#N)C(C)C
InChIKey
InChIKey=IRBUWJJZAUOFOI-GOSISDBHSA-N
Formula
C18H23NO4
Mass
317.385
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 methyl esters Beta-keto acids and derivatives Beta-hydroxy ketones 1,3-dicarbonyl compounds Tertiary alcohols Methyl esters Nitriles Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzonitrile - Beta-keto acid - Fatty acid ester - Fatty acid methyl ester - Beta-hydroxy ketone - Fatty acyl - 1,3-dicarbonyl compound - Keto acid - Methyl ester - Tertiary alcohol - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Cyanide - Organonitrogen compound - Organic nitrogen compound - 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