Structure Information
Structure

Compound Identification

SMILES

CCN1C(=O)C(SC1=NC1=CC=CC(=C1)C(O)=O)=CC1=CC(Br)=C(OCC2=CC=CC=C2C#N)C(Br)=C1

InChIKey

InChIKey=QRVSQOOXKLNVED-UHFFFAOYSA-N

Formula

C27H19Br2N3O4S

Mass

641.33

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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

Not available

Direct Parent

Benzoic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzoic acid - Phenoxy compound - Benzonitrile - Benzoyl - Phenol ether - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Thiazolidine - Isothiourea - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Nitrile - Carbonitrile - Azacycle - Ether - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.

External Descriptors

Not available

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