Structure Information
Structure

Compound Identification

SMILES

CCN(CC)CCNC(=O)C1=CC(Br)=C(NC2=NCC(C)N2)C=C1OC

InChIKey

InChIKey=JXNTXSYWGOFEOU-UHFFFAOYSA-N

Formula

C18H28BrN5O2

Mass

426.359

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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 - Methoxyaniline - Benzamide - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Benzoyl - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - 2-imidazoline - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Guanidine - Amino acid or derivatives - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboxylic acid derivative - Ether - Organic oxide - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen 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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