Structure Information
Structure

Compound Identification

SMILES

OCC(O)CN1C=NC(=C1I)[N+]([O-])=O

InChIKey

InChIKey=JWTRJEXCJLKCRA-UHFFFAOYSA-N

Formula

C6H8IN3O4

Mass

313.051

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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 Imidolactams Aryl iodides Heteroaromatic compounds Secondary alcohols 1,2-diols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organoiodides Organic zwitterions Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitroaromatic compound - Nitroimidazole - Imidolactam - N-substituted imidazole - Aryl iodide - Aryl halide - Heteroaromatic compound - Organic nitro compound - Secondary alcohol - C-nitro compound - 1,2-diol - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Alcohol - 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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