Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CN(CCC2=NC(NC3=CC=C(Cl)C=C3)=NN2)C=N1

InChIKey

InChIKey=NBSBVZHGYULUQK-UHFFFAOYSA-N

Formula

C13H12ClN7O2

Mass

333.74

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Imidazoles

Intermediate Tree Nodes

Substituted imidazoles

Direct Parent

Nitroimidazoles

Alternative Parents

Aniline and substituted anilines Nitroaromatic compounds Chlorobenzenes Aryl chlorides Imidolactams N-substituted imidazoles Triazoles Heteroaromatic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Organochlorides Hydrocarbon derivatives Organic oxides

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitroaromatic compound - Aniline or substituted anilines - Nitroimidazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Imidolactam - Benzenoid - Heteroaromatic compound - 1,2,4-triazole - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organic zwitterion - Organohalogen compound - Organic salt - Amine - Organochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitroimidazoles. These are compounds containing an imidazole ring which bears a nitro group.

External Descriptors

Not available

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