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
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
Phenylpropanoic acids Benzimidazoles Phenoxy compounds Phenol ethers Alkyl aryl ethers Alpha-keto acids and derivatives Alpha-hydroxy ketones Heteroaromatic compounds Imidazoles Secondary carboxylic acid amides Carboxylic acids Carboximidamides Carboxamidines Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides
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