Structure Information
Structure

Compound Identification

SMILES

CN1C=NC(=C1NC1=CC(C)=C(C)C=C1)[N+]([O-])=O

InChIKey

InChIKey=FVQJFFALPVJVDA-UHFFFAOYSA-N

Formula

C12H14N4O2

Mass

246.27

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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

o-Xylenes Nitroaromatic compounds Aniline and substituted anilines N-substituted imidazoles Imidolactams Aminoimidazoles Heteroaromatic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitroaromatic compound - O-xylene - Xylene - Nitroimidazole - Aniline or substituted anilines - Aminoimidazole - Monocyclic benzene moiety - N-substituted imidazole - Imidolactam - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Azacycle - Organic oxoazanium - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic zwitterion - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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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