Structure Information
Structure

Compound Identification

SMILES

CCCC(=O)NN1C=CN(CCN2C=NC=C2[N+]([O-])=O)C1[N+]([O-])=O

InChIKey

InChIKey=WTVMMJSMHKJXSA-UHFFFAOYSA-N

Formula

C12H17N7O5

Mass

339.312

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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

Nitroaromatic compounds N-substituted imidazoles Imidazolines Heteroaromatic compounds Orthocarboxylic acid derivatives Ortho amides Carboxylic acid hydrazides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitroaromatic compound - Nitroimidazole - N-substituted imidazole - 4-imidazoline - Heteroaromatic compound - Carboxylic acid hydrazide - C-nitro compound - Organic nitro compound - Ortho amide - Orthocarboxylic acid derivative - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic salt - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Organic oxide - 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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