Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)OC(=O)N[C@H]([C@@H](O)C([O-])=O)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=HYXUQOVRAVMBAJ-WDEREUQCSA-M

Formula

C14H17ClNO5

Mass

314.74

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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 - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Monosaccharide - Carbamic acid ester - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Organic anion - 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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