Structure Information
Structure

Compound Identification

SMILES

Cl.NC(CC(=O)OC1=CC=CC=C1)C(=O)OC1=CC=CC=C1

InChIKey

InChIKey=AHPMIVIMDIXASR-UHFFFAOYSA-N

Formula

C16H16ClNO4

Mass

321.76

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Amino acids, peptides, and analogues

Intermediate Tree Nodes

Amino acids and derivatives - Alpha amino acids and derivatives

Direct Parent

Aspartic acid and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Aspartic acid or derivatives - Alpha-amino acid ester - Phenol ester - Phenoxy compound - Fatty acid ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Fatty acyl - Carboxylic acid ester - Primary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Amine - Hydrochloride - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

External Descriptors

Not available

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