Structure Information
Structure

Compound Identification

SMILES

BrC1=CC=CC=C1C(=O)N1CC[NH+](CC2=CC=CC=C2)CC1

InChIKey

InChIKey=QPLRPWGJEQFBKR-UHFFFAOYSA-O

Formula

C18H20BrN2O

Mass

360.274

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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

2-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

2-halobenzoic acid or derivatives - Benzamide - Benzoyl - Benzylamine - Phenylmethylamine - Bromobenzene - Halobenzene - N-alkylpiperazine - Aralkylamine - Aryl bromide - Aryl halide - 1,4-diazinane - Piperazine - Vinylogous halide - Tertiary carboxylic acid amide - Quaternary ammonium salt - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organohalogen compound - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.

External Descriptors

Not available

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