1-methyl-3-(2-nitro-3-oxidanyl-phenyl)-6-(trifluoromethyl)pyrimidine-2,4-dione

Systemtic Name: 1-methyl-3-(2-nitro-3-oxidanyl-phenyl)-6-(trifluoromethyl)pyrimidine-2,4-dione Openeye Name: 3-(3-hydroxy-2-nitro-phenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione CAS Name: 3-(3-hydroxy-2-nitrophenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione IUPAC Name: 3-(3-hydroxy-2-nitrophenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione Traditional Name: 3-(3-hydroxy-2-nitro-phenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-quinone Formula: C12H8F3N3O5 MolecularWeight: 331.20423

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C2=C(C(=CC=C2)O)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C2=C(C(=CC=C2)O)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C12H8F3N3O5/c1-16-8(12(13,14)15)5-9(20)17(11(16)21)6-3-2-4-7(19)10(6)18(22)23/h2-5,19H,1H3