(4-nitrophenyl) 4-[3,4-bis(fluoranyl)phenyl]-5-ethanoyl-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxylate

Systemtic Name: (4-nitrophenyl) 4-[3,4-bis(fluoranyl)phenyl]-5-ethanoyl-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxylate Openeye Name: (4-nitrophenyl) 5-acetyl-4-(3,4-difluorophenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylate CAS Name: 5-acetyl-4-(3,4-difluorophenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 5-acetyl-4-(3,4-difluorophenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylate Traditional Name: 5-acetyl-4-(3,4-difluorophenyl)-2-keto-6-methyl-1,4-dihydropyrimidine-3-carboxylic acid (4-nitrophenyl) ester Formula: C20H15F2N3O6 MolecularWeight: 431.346406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=C(C=C3)F)F)C(=O)C

Isomeric SMILES

CC1=C(C(N(C(=O)N1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=C(C=C3)F)F)C(=O)C

InChI

InChI=1S/C20H15F2N3O6/c1-10-17(11(2)26)18(12-3-8-15(21)16(22)9-12)24(19(27)23-10)20(28)31-14-6-4-13(5-7-14)25(29)30/h3-9,18H,1-2H3,(H,23,27)