Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Phenylpropanoic acids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpropanoic acids

Alternative Parents

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

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