Compound Identification
SMILES
CN1C(NNC(C)=O)=NC(C2=CC=C(C=C2)[N+]([O-])=O)=C(C#N)C1=O
InChIKey
InChIKey=HLJHELUUMGFSFE-UHFFFAOYSA-N
Formula
C14H12N6O4
Mass
328.288
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 Hydropyrimidines Acetamides Heteroaromatic compounds Carboxylic acid hydrazides Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Nitriles Organic salts Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Nitrobenzene - Nitroaromatic compound - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Heteroaromatic compound - Acetamide - Carboxylic acid hydrazide - Lactam - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Carbonitrile - Nitrile - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Cyanide - Organic zwitterion - Organic oxide - 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