Structure Information
Structure

Compound Identification

SMILES

OC1=C(C=C(Br)C=C1)C(=O)OCC1=NC(=NO1)C1=CC=CS1

InChIKey

InChIKey=RAJUONXZNQFLEK-UHFFFAOYSA-N

Formula

C14H9BrN2O4S

Mass

381.2

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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

Benzoic acid esters

Direct Parent

o-Hydroxybenzoic acid esters

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

O-hydroxybenzoic acid ester - Salicylic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 4-bromophenol - Benzoyl - 4-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous acid - Thiophene - Heteroaromatic compound - Azole - 1,2,4-oxadiazole - Oxadiazole - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy group.

External Descriptors

Not available

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