Compound Identification
SMILES
COC(=O)C(=O)C(C#N)C1=CC=C(CC#N)C=C1
InChIKey
InChIKey=WUDFOSUVDAORKL-UHFFFAOYSA-N
Formula
C13H10N2O3
Mass
242.234
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
Monocyclic monoterpenoids Aromatic monoterpenoids Benzyl cyanides Fatty acid esters Alpha-keto acids and derivatives Methyl esters Ketones Nitriles Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylpyruvate - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Benzyl-cyanide - Fatty acid ester - Alpha-keto acid - Fatty acyl - Keto acid - Methyl ester - Ketone - Carboxylic acid ester - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Nitrile - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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