Structure Information
Structure

Compound Identification

SMILES

COC1=CC(CNC2=NC=C(N2C)C2=CC(=CC=C2)[N+]([O-])=O)=CC(OC)=C1OC

InChIKey

InChIKey=XQYFMIRHHHPXEC-UHFFFAOYSA-N

Formula

C20H22N4O5

Mass

398.419

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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

Nitrobenzenes 1,2,5-trisubstituted imidazoles Anisoles Benzylamines Methoxybenzenes Nitroaromatic compounds Phenoxy compounds Alkyl aryl ethers N-substituted imidazoles Aminoimidazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Hydrocarbon derivatives Amines Organic oxides Organic salts Organic cations

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

5-phenylimidazole - 4-phenylimidazole - Nitrobenzene - 1,2,5-trisubstituted-imidazole - Anisole - Benzylamine - Phenol ether - Phenoxy compound - Nitroaromatic compound - Trisubstituted imidazole - Methoxybenzene - Alkyl aryl ether - N-substituted imidazole - Benzenoid - Monocyclic benzene moiety - Aminoimidazole - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Ether - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Organic oxygen compound - Organic salt - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen 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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