Compound Identification
SMILES
COC1=C(C=C(C=C1)C1=NC(NC2=CC(O)=CC=C2)=NC=C1)[N+]([O-])=O
InChIKey
InChIKey=RTYRZQKCAIMWOQ-UHFFFAOYSA-N
Formula
C17H14N4O4
Mass
338.323
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
Nitrophenyl ethers Methoxyanilines m-Aminophenols Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Aminopyrimidines and derivatives Heteroaromatic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Nitrophenyl ether - Methoxyaniline - Nitrobenzene - Aniline or substituted anilines - Phenoxy compound - Methoxybenzene - Phenol ether - M-aminophenol - Anisole - Aminophenol - Nitroaromatic compound - Phenol - Aminopyrimidine - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Ether - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Secondary amine - Organic oxide - Organic oxygen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - 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