Compound Identification
SMILES
OC(=O)C(O)=C(C#N)C1=CC=C(C=C1)C1=CC=CC2=CC=CC=C12
InChIKey
InChIKey=ZYQBEJQFCQZLMX-UHFFFAOYSA-N
Formula
C20H13NO3
Mass
315.328
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 acids Naphthalenes Nitriles Monocarboxylic acids and derivatives Enols Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cinnamic acid - Cinnamic acid or derivatives - Enol-phenylpyruvate - Naphthalene - Carboxylic acid derivative - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Enol - Carboxylic acid - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Cyanide - Organic oxygen compound - Organic nitrogen compound - Aromatic homopolycyclic 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