Structure Information
Structure

Compound Identification

SMILES

CC1=CC=CC(C(=O)NNC(=C)CC(=O)NC2=C(Cl)C=C(Cl)C=C2)=C1O

InChIKey

InChIKey=WBKXEOUBQOGYPH-UHFFFAOYSA-N

Formula

C18H17Cl2N3O3

Mass

394.25

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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

Direct Parent

Beta amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Beta amino acid or derivatives - Salicylamide - Salicylic acid or derivatives - Anilide - Benzoic acid or derivatives - Toluamide - M-toluamide - Benzoyl - N-arylamide - 1,3-dichlorobenzene - O-cresol - Halobenzene - Toluene - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Chlorobenzene - Benzenoid - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Vinylogous acid - Carboxylic acid hydrazide - Carboxamide group - Secondary carboxylic acid amide - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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