Compound Identification
SMILES
CCOC(=O)C(O)=C(C#N)C1=CC=CC=C1C
InChIKey
InChIKey=XNSVJBORYUCRDG-UHFFFAOYSA-N
Formula
C13H13NO3
Mass
231.251
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylpyruvic acid derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyruvic acid derivatives
Alternative Parents
Cinnamic acid esters Toluenes Fatty acid esters Enoate esters Nitriles Monocarboxylic acids and derivatives Enols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid or derivatives - Enol-phenylpyruvate - Cinnamic acid ester - Fatty acid ester - Toluene - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid derivative - Enol - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic nitrogen compound - Cyanide - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyruvic acid derivatives. These are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid.
External Descriptors
Not available