Structure Information
Structure

Compound Identification

SMILES

OC1=C(C=C(C=C1)S(=O)(=O)NC1=CC=C(C=C1)[N+]([O-])=O)C(=O)OCC(=O)NC1=C(F)C=C(Br)C=C1

InChIKey

InChIKey=MFISMJGRVSCYCL-UHFFFAOYSA-N

Formula

C21H15BrFN3O8S

Mass

568.33

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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 homomonocyclic compounds

Substituents

O-hydroxybenzoic acid ester - Salicylic acid or derivatives - Sulfanilide - Benzenesulfonamide - Benzenesulfonyl group - Anilide - Nitrobenzene - Nitroaromatic compound - N-arylamide - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Organosulfonic acid amide - Aryl halide - Organic sulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Organosulfonic acid or derivatives - Vinylogous acid - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organic oxygen compound - Organofluoride - Organic nitrogen compound - Carbonyl group - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Aromatic homomonocyclic 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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