Structure Information
Structure

Compound Identification

SMILES

CC1=NC(=CN1CC1=CC=CC(C)=C1)[N+]([O-])=O

InChIKey

InChIKey=HJCXLMDLGHLYGF-UHFFFAOYSA-N

Formula

C12H13N3O2

Mass

231.255

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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 1,2,4-trisubstituted imidazoles Toluenes N-substituted imidazoles Imidolactams Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

1,2,4-trisubstituted-imidazole - Nitroaromatic compound - Nitroimidazole - Trisubstituted imidazole - Toluene - Monocyclic benzene moiety - N-substituted imidazole - Imidolactam - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Organopnictogen 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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