Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(N=C(NCCNC2=NC=C(C=C2)[N+]([O-])=O)C=C1)C1=CC=C(C=C1)C#N

InChIKey

InChIKey=HIYQGVPTCSSQLA-UHFFFAOYSA-N

Formula

C21H18N6O4

Mass

418.413

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyridines and derivatives

Subclass

Phenylpyridines

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyridines

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

2-phenylpyridine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Nitroaromatic compound - Benzonitrile - Aminopyridine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic oxoazanium - Organic salt - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Amine - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Organic zwitterion - Aromatic heteromonocyclic compound

Description

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

External Descriptors

Not available

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