Structure Information
Structure

Compound Identification

SMILES

CC1=CC(C(C#N)C(=O)C(O)=O)=C(C)C=C1

InChIKey

InChIKey=GBIBWCFHETWHQN-UHFFFAOYSA-N

Formula

C12H11NO3

Mass

217.224

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Phenylpyruvate - 3-phenylpropanoic-acid - P-xylene - Xylene - Keto acid - Alpha-keto acid - Alpha-hydroxy ketone - Ketone - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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

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