Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=CC(=C1)C(=O)COC(=O)CNC(=O)C1=C(Cl)C=C(Cl)C=C1

InChIKey

InChIKey=UQNHDXUOFMJEMV-UHFFFAOYSA-N

Formula

C17H12Cl2N2O6

Mass

411.19

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Benzamides

Direct Parent

Hippuric acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Alpha-amino acid ester - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alkyl-phenylketone - Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Phenylketone - Nitrobenzene - Nitroaromatic compound - Benzoyl - 1,3-dichlorobenzene - Aryl ketone - Aryl alkyl ketone - Alpha-acyloxy ketone - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Vinylogous halide - Organic nitro compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Ketone - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Monocarboxylic acid or derivatives - Organochloride - Organonitrogen compound - Organic zwitterion - Organooxygen compound - Carbonyl group - Organic salt - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.

External Descriptors

Not available

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