Compound Identification
SMILES
COC1=CC=CC(NC2=NC=CC(=N2)C2=CC(=C(OC)C=C2)[N+]([O-])=O)=C1
InChIKey
InChIKey=LGZWNDSHCCDKPE-UHFFFAOYSA-N
Formula
C18H16N4O4
Mass
352.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Phenylpyrimidines
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Subclass
Pyrimidines and pyrimidine derivatives
-
Class
Diazines
-
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 Phenoxy compounds Anisoles Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Aminopyrimidines and derivatives Heteroaromatic compounds Organic oxoazanium compounds Secondary amines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Hydrocarbon derivatives Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Nitrophenyl ether - Nitrobenzene - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Phenol ether - Anisole - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Ether - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic salt - Amine - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - 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