Structure Information
Structure

Compound Identification

SMILES

NC1=CC=C(Br)C=C1.OC(=O)C1=CC=C(OCCCCCOC(=O)C=C)C=C1

InChIKey

InChIKey=JWHJCKHXAFYRLG-UHFFFAOYSA-N

Formula

C21H24BrNO5

Mass

450.329

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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

Not available

Substituents

Benzoic acid - Phenoxy compound - Benzoyl - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Acrylic acid ester - Aryl halide - Acrylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Ether - Primary amine - Organohalogen compound - Organobromide - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic 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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