Structure Information
Structure

Compound Identification

SMILES

CC1=NC2=C(N1)C=C(C=C2)C(=O)NCCOC1=C(CC(=O)C(O)=O)C=CC(=C1)C(N)=N

InChIKey

InChIKey=QPBGNSSSGDCEKV-UHFFFAOYSA-N

Formula

C21H21N5O5

Mass

423.429

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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 heteropolycyclic compounds

Substituents

Phenylpyruvate - 3-phenylpropanoic-acid - Benzimidazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Alpha-keto acid - Keto acid - Alpha-hydroxy ketone - Azole - Heteroaromatic compound - Imidazole - Carboxamide group - Secondary carboxylic acid amide - Ketone - Amidine - Azacycle - Carboxylic acid amidine - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Carboximidamide - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic oxide - Aromatic heteropolycyclic 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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