Structure Information
Structure

Compound Identification

SMILES

COC(=O)NC1=NC2=C(N1)C=C(OC1=CC=CC=C1Br)C=C2

InChIKey

InChIKey=BKOPJEAZNFKFAH-UHFFFAOYSA-N

Formula

C15H12BrN3O3

Mass

362.183

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzimidazoles

Subclass

2-benzimidazolylcarbamic acid esters

Intermediate Tree Nodes

Not available

Direct Parent

2-benzimidazolylcarbamic acid esters

Alternative Parents

Diarylethers Phenoxy compounds Phenol ethers Bromobenzenes Aryl bromides Imidazoles Heteroaromatic compounds Carbamate esters Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-benzimidazolylcarbamic acid ester - Diaryl ether - Phenoxy compound - Phenol ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Carbamic acid ester - Imidazole - Azacycle - Ether - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 2-benzimidazolylcarbamic acid esters. These are aromatic heteropolycyclic compounds that contain a carbamic acid ester group, which is N-linked to the C2-atom of a benzimidazole moiety.

External Descriptors

Not available

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