Structure Information
Structure

Compound Identification

SMILES

OC(=O)CN(CC1=CC(Br)=CC=C1)C(=O)C1=C(Cl)C=C(Cl)C=C1

InChIKey

InChIKey=XVJJFSABGWCTBS-UHFFFAOYSA-N

Formula

C16H12BrCl2NO3

Mass

417.08

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Benzamides - Hippuric acids and derivatives

Direct Parent

Hippuric acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - 1,3-dichlorobenzene - Bromobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Aryl bromide - Tertiary carboxylic acid amide - Vinylogous halide - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organic oxygen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.

External Descriptors

Not available

Previous Back Next