Compound Identification
SMILES
COC1=CC=C(C=C1)C1=C2NC(=CC(=O)N2N=C1C(F)(F)F)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=FWCXFDIUNXQPDD-UHFFFAOYSA-N
Formula
C20H13F3N4O4
Mass
430.343
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
Phenylpyrazoles Pyrazolo[1,5-a]pyrimidines Nitrobenzenes Phenoxy compounds Nitroaromatic compounds Methoxybenzenes Anisoles Pyrimidones Alkyl aryl ethers Vinylogous amides Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic zwitterions Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - 4-phenylpyrimidine - Phenylpyrazole - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Methoxybenzene - Phenol ether - Anisole - Pyrimidone - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Pyrazole - Azole - Organic nitro compound - C-nitro compound - Lactam - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic 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