Compound Identification
SMILES
NC1=NC(=O)C(C#N)=C(N1)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=WXADVLYZLHPFJZ-UHFFFAOYSA-N
Formula
C11H7N5O3
Mass
257.209
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Phenylpyrimidines
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Subclass
Pyrimidines and pyrimidine derivatives
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Class
Diazines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrimidines
Alternative Parents
Nitrobenzenes Nitroaromatic compounds Pyrimidones Aminopyrimidines and derivatives Hydropyrimidines Vinylogous amides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Nitriles Organic oxides Organic salts Hydrocarbon derivatives Organic zwitterions Organooxygen compounds Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Nitrobenzene - Nitroaromatic compound - Aminopyrimidine - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carbonitrile - Azacycle - Nitrile - Organic oxoazanium - Organic salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Primary amine - Organic zwitterion - Cyanide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available