Structure Information
Structure

Compound Identification

SMILES

OCC1=CC=C(C=CC2=NC=C(N2C=C)[N+]([O-])=O)C=C1

InChIKey

InChIKey=ITODNIOLZQGSCI-UHFFFAOYSA-N

Formula

C14H13N3O3

Mass

271.276

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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

Styrenes 1,2,5-trisubstituted imidazoles Benzyl alcohols Nitroaromatic compounds N-substituted imidazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organonitrogen compounds Aromatic alcohols Primary alcohols

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

1,2,5-trisubstituted-imidazole - Nitroaromatic compound - Benzyl alcohol - Nitroimidazole - Styrene - Trisubstituted imidazole - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organic zwitterion - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic 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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