Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(C(=C1)C1=NC2=C(N1)C(N)=NC(N)=N2)[N+]([O-])=O

InChIKey

InChIKey=RODHWFQOANIJGV-UHFFFAOYSA-N

Formula

C13H13N7O4

Mass

331.292

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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

Nitrophenyl ethers 6-aminopurines Dimethoxybenzenes Methoxyanilines Phenoxy compounds Anisoles Nitroaromatic compounds Alkyl aryl ethers Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Primary amines Organic salts Organic zwitterions Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Nitrophenyl ether - 2-phenylimidazole - 6-aminopurine - O-dimethoxybenzene - Dimethoxybenzene - Imidazopyrimidine - Nitrobenzene - Methoxyaniline - Purine - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Imidolactam - Pyrimidine - Benzenoid - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Azacycle - Organic oxoazanium - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic salt - Amine - Aromatic heteropolycyclic 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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