Structure Information
Structure

Compound Identification

SMILES

CC(C)C(NC(=O)C1=CC=CC=C1Br)C(=O)OCC1=C2OCOCC2=CC(=C1)[N+]([O-])=O

InChIKey

InChIKey=NSGIHSFCBMWGRI-UHFFFAOYSA-N

Formula

C21H21BrN2O7

Mass

493.31

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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 heteropolycyclic compounds

Substituents

Alpha-amino acid ester - Valine or derivatives - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzo-1,3-dioxane - Benzodioxane - Nitroaromatic compound - Benzoyl - Bromobenzene - Halobenzene - Fatty acid ester - Aryl bromide - Aryl halide - Fatty acyl - Vinylogous halide - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Organic oxoazanium - Oxacycle - Acetal - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carboxylic acid derivative - Organic zwitterion - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic salt - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic heteropolycyclic 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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