Structure Information
Structure

Compound Identification

SMILES

OC1=C(C=CC=C1NC1=C(Br)C(=O)NN(CC2=CC=CC=C2)C1=O)C(=O)N1CCOCC1

InChIKey

InChIKey=WRFQURKIUZFQLU-UHFFFAOYSA-N

Formula

C22H21BrN4O5

Mass

501.337

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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

Direct Parent

Aminosalicylic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Aminosalicylic acid or derivatives - Salicylamide - Aminobenzamide - Aminobenzoic acid or derivatives - Morpholine-4-carboxylic acid or derivatives - Benzamide - O-aminophenol - Benzoyl - Aminophenol - Aniline or substituted anilines - Pyridazinone - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Aminopyridazine - Pyridazine - Morpholine - Oxazinane - Primary aromatic amine - Aryl halide - Aryl bromide - Heteroaromatic compound - Vinylogous amide - Vinylogous acid - Vinylogous halide - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Secondary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organooxygen compound - Organic oxide - Organonitrogen compound - Organohalogen compound - Organic oxygen compound - Organobromide - Hydrocarbon derivative - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as aminosalicylic acids and derivatives. These are salicylic acids or derivatives carrying an amino group on the benzene ring.

External Descriptors

Not available

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