Structure Information
Structure

Compound Identification

SMILES

CC(C)C(NC(=O)C1=CC=C(F)C=C1)C(=O)NN=CC1=CC(=C(Br)C=C1)[N+]([O-])=O

InChIKey

InChIKey=OJOCIGSTUIKEBW-UHFFFAOYSA-N

Formula

C19H18BrFN4O4

Mass

465.279

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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

Valine or derivatives - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Halobenzene - Bromobenzene - Fluorobenzene - Aryl halide - Aryl bromide - Aryl fluoride - Secondary carboxylic acid amide - Organic nitro compound - C-nitro compound - Carboxamide group - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organooxygen compound - Organic zwitterion - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organofluoride - Organobromide - Hydrocarbon derivative - Organohalogen compound - 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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