Compound Identification
SMILES
OC(=O)CCC1=C(O)C(NCC(O)=O)=C(Cl)C=C1
InChIKey
InChIKey=YTSDQONZBXIIDA-UHFFFAOYSA-N
Formula
C11H12ClNO5
Mass
273.67
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
Alpha amino acids o-Aminophenols Phenylalkylamines Aniline and substituted anilines M-chlorophenols Secondary alkylarylamines 1-hydroxy-4-unsubstituted benzenoids Chlorobenzenes Aryl chlorides Dicarboxylic acids and derivatives Amino acids Carboxylic acids Carbonyl compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenylpropanoic-acid - Alpha-amino acid - Alpha-amino acid or derivatives - O-aminophenol - 3-halophenol - Aminophenol - 3-chlorophenol - Phenylalkylamine - Aniline or substituted anilines - 1-hydroxy-4-unsubstituted benzenoid - Halobenzene - Phenol - Chlorobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Dicarboxylic acid or derivatives - Benzenoid - Aryl halide - Monocyclic benzene moiety - Amino acid - Amino acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Secondary amine - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors
Not available