Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C1=C(N(CCC#N)C=N1)[N+]([O-])=O

InChIKey

InChIKey=YVAWBRCPWIJMMH-UHFFFAOYSA-N

Formula

C13H12N4O3

Mass

272.264

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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

Phenylimidazoles

Alternative Parents

Phenoxy compounds Anisoles Methoxybenzenes Nitroimidazoles Nitroaromatic compounds Alkyl aryl ethers N-substituted imidazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Nitriles Hydrocarbon derivatives Organic oxides Organic salts Organic cations

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

5-phenylimidazole - 4-phenylimidazole - Phenoxy compound - Nitroaromatic compound - Anisole - Nitroimidazole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Ether - Carbonitrile - Nitrile - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Cyanide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Organic oxide - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.

External Descriptors

Not available

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