Structure Information
Structure

Compound Identification

SMILES

COC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC1=CC=C(C)C=C1)N=NC(=O)C1=C(O)C=CC(Br)=C1

InChIKey

InChIKey=BXYKDEOKVVEQLC-UHFFFAOYSA-N

Formula

C28H26BrN7O3

Mass

588.466

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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

Salicylamides

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Salicylamide - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Aminophenyl ether - Methoxyaniline - Phenol ether - Phenoxy compound - Phenylhydrazine - Anisole - Tertiary aliphatic/aromatic amine - Benzoyl - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - 4-bromophenol - 4-halophenol - Alkyl aryl ether - Phenol - Halobenzene - Toluene - Bromobenzene - 1-hydroxy-2-unsubstituted benzenoid - Aryl halide - Aryl bromide - Vinylogous acid - Formazan - Tertiary amine - Amino acid or derivatives - Azo compound - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrazone - Carbonitrile - Nitrile - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organooxygen compound - Amine - Organobromide - Organic oxygen compound - Cyanide - Organic oxide - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as salicylamides. These are carboxamide derivatives of salicylic acid. Salicylic acid is the ortho-hydroxylated derivative of benzoic acid.

External Descriptors

Not available

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