Compound Identification
SMILES
CO\C(=C/C1=C(Cl)C=C(C=C1Cl)C(=O)NC1=NC(=CS1)C1=C(F)C(OC)=CC=C1)C(O)=O
InChIKey
InChIKey=JQLJNVTTYXKFMZ-IUXPMGMMSA-N
Formula
C21H15Cl2FN2O5S
Mass
497.32
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 3-halobenzoic acids and derivatives Benzamides Phenoxy compounds Anisoles Methoxybenzenes Dichlorobenzenes Benzoyl derivatives 2,4-disubstituted thiazoles Alkyl aryl ethers Fluorobenzenes Aryl chlorides Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organofluorides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid - Cinnamic acid or derivatives - Enol-phenylpyruvate - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - Methoxybenzene - 1,3-dichlorobenzene - Phenol ether - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Aryl chloride - Thiazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Ether - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organochloride - Aromatic heteromonocyclic 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