Compound Identification
SMILES
COC(=O)C(=O)C(C#N)C1=C(C(=O)OC)C(O)=CC=C1
InChIKey
InChIKey=JXWHLRQBBYNAEG-UHFFFAOYSA-N
Formula
C13H11NO6
Mass
277.232
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
o-Hydroxybenzoic acid esters Salicylic acid and derivatives Benzoyl derivatives Fatty acid esters 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Alpha-keto acids and derivatives Vinylogous acids Methyl esters Ketones Nitriles Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylpyruvate - O-hydroxybenzoic acid ester - Salicylic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Fatty acid ester - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alpha-keto acid - Keto acid - Fatty acyl - Methyl ester - Vinylogous acid - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Nitrile - Carboxylic acid derivative - Carbonitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Cyanide - 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