Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CN(CCCCCCCCN2C=C(N=C2C(=O)C(Cl)(Cl)Cl)[N+]([O-])=O)C(=N1)C(=O)C(Cl)(Cl)Cl

InChIKey

InChIKey=IHAUXHTUAZMKNC-UHFFFAOYSA-N

Formula

C18H18Cl6N6O6

Mass

627.08

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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

1,2,4-trisubstituted imidazoles Aryl alkyl ketones Nitroaromatic compounds Imidolactams N-substituted imidazoles Alpha-chloroketones Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic salts Alkyl chlorides Organochlorides Organonitrogen compounds Organic oxides Organic cations

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

1,2,4-trisubstituted-imidazole - Nitroaromatic compound - Nitroimidazole - Trisubstituted imidazole - Aryl alkyl ketone - Aryl ketone - N-substituted imidazole - Imidolactam - Alpha-haloketone - Alpha-chloroketone - Heteroaromatic compound - Ketone - C-nitro compound - Organic nitro compound - Azacycle - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organochloride - Alkyl chloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic salt - Alkyl halide - Organic oxygen compound - Organic cation - 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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