Structure Information
Structure

Compound Identification

SMILES

CCC(=O)OC1=C(C=CC(O)=C1)C(=O)NC1=NC=C(S1)[N+]([O-])=O

InChIKey

InChIKey=QGMUAWBZNAURDP-UHFFFAOYSA-N

Formula

C13H11N3O6S

Mass

337.31

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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

Hydroxybenzoic acid derivatives - Salicylic acid and derivatives - Acylsalicylic acids and derivatives

Direct Parent

Acylsalicylamides

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Acylsalicylamide - Phenol ester - Benzamide - Phenoxy compound - Nitroaromatic compound - Benzoyl - Nitrothiazole - 2,5-disubstituted 1,3-thiazole - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Azole - Heteroaromatic compound - Thiazole - Organic nitro compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic oxoazanium - Monocarboxylic acid or derivatives - Organic zwitterion - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic salt - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as acylsalicylamides. These are o-acylated derivatives of salicylamide.

External Descriptors

Not available

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