Compound Identification
SMILES
CC1=C(C(NC(=O)N1)C1=CC=CC=C1OC(F)F)[N+]([O-])=O
InChIKey
InChIKey=AKCJWUNKQWJQHZ-UHFFFAOYSA-N
Formula
C12H11F2N3O4
Mass
299.234
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 Nitropyrimidines
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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
Nitropyrimidines
Alternative Parents
Phenoxy compounds Phenol ethers Pyrimidones Hydropyrimidines Ureas C-nitro compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organic salts Organofluorides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitropyrimidine - Phenoxy compound - Phenol ether - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Benzenoid - C-nitro compound - Organic nitro compound - Urea - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Organic salt - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Alkyl halide - Organohalogen compound - Hydrocarbon derivative - Alkyl fluoride - Organic oxide - Organic oxygen compound - Carbonyl group - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitropyrimidines. These are compounds containing a pyrimidine ring which bears a nitro group. 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