Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(CN2C=CC=C2CN(CC2=CC=CC=C2)C(=O)C2=CC(Br)=CC=C2)=C1

InChIKey

InChIKey=IZZOSXSQJLUHOA-UHFFFAOYSA-N

Formula

C27H25BrN2O2

Mass

489.413

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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

Halobenzoic acids and derivatives

Direct Parent

3-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

3-halobenzoic acid or derivatives - Benzamide - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Substituted pyrrole - Aryl bromide - Aryl halide - Tertiary carboxylic acid amide - Pyrrole - Heteroaromatic compound - Carboxamide group - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.

External Descriptors

Not available

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