Structure Information
Structure

Compound Identification

SMILES

OC[C@@H]1CC[C@H](O1)N1C=CC2=NC(=CN2C1=O)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=KLWATIKXJJFIBW-BBRMVZONSA-N

Formula

C17H16N4O5

Mass

356.338

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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

Imidazopyrimidines Nitrobenzenes Nitroaromatic compounds Pyrimidones N-substituted imidazoles Heteroaromatic compounds Oxolanes Ureas Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic zwitterions Organic salts Organic oxides Primary alcohols Hydrocarbon derivatives Organonitrogen compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

5-phenylimidazole - 4-phenylimidazole - Imidazopyrimidinone - Imidazopyrimidine - Nitrobenzene - Nitroaromatic compound - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Heteroaromatic compound - Oxolane - C-nitro compound - Organic nitro compound - Urea - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Organic oxoazanium - Azacycle - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic salt - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - 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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