Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC(=CC(=C1)C1=NC2=NC3=CC=CC=C3N=C2N1C1=CC=C(Cl)C=C1)[N+]([O-])=O

InChIKey

InChIKey=MBYCRHGBVFPBTD-UHFFFAOYSA-N

Formula

C21H11ClN6O4

Mass

446.81

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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

Quinoxalines Imidazopyrazines Nitrobenzenes Nitroaromatic compounds Chlorobenzenes Pyrazines Aryl chlorides 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 Organochlorides Organonitrogen compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-phenylimidazole - 1-phenylimidazole - Quinoxaline - Nitrobenzene - Imidazopyrazine - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyrazine - Aryl chloride - 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 - Azacycle - Organic oxoazanium - Organic salt - Organohalogen compound - Organochloride - Organic oxide - Organic zwitterion - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - 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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