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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyridines and derivatives
- Subclass Phenylpyridines
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Class
Pyridines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Phenylpyridines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyridines
Alternative Parents
Pyridinecarboxylic acids Benzonitriles Nitroaromatic compounds Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Methyl esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Nitriles Hydrocarbon derivatives Organic zwitterions Organic salts Amines Organooxygen compounds Organic oxides
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