Structure Information
Structure

Compound Identification

SMILES

CC(C)C(NC(=O)C1=C(Cl)C=C(Cl)C=C1)C(=O)NN=CC1=CC=C(O1)C1=C(C=C(Cl)C=C1)[N+]([O-])=O

InChIKey

InChIKey=VRVSJDOBGNJSOR-UHFFFAOYSA-N

Formula

C23H19Cl3N4O5

Mass

537.78

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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 heteromonocyclic compounds

Substituents

Valine or derivatives - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Furan - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxoazanium - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organic zwitterion - Hydrocarbon derivative - Organonitrogen compound - Organic salt - Organohalogen compound - Carbonyl group - Organochloride - Aromatic heteromonocyclic 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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