O3-(4-nitrophenyl) O5-(phenylmethyl) 4-[2,4-bis(fluoranyl)phenyl]-6-ethyl-2-oxidanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate

Systemtic Name: O3-(4-nitrophenyl) O5-(phenylmethyl) 4-[2,4-bis(fluoranyl)phenyl]-6-ethyl-2-oxidanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate Openeye Name: O5-benzyl O3-(4-nitrophenyl) 4-(2,4-difluorophenyl)-6-ethyl-2-oxo-1,4-dihydropyrimidine-3,5-dicarboxylate CAS Name: 4-(2,4-difluorophenyl)-6-ethyl-2-oxo-1,4-dihydropyrimidine-3,5-dicarboxylic acid O3-(4-nitrophenyl) ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 3-O-(4-nitrophenyl) 4-(2,4-difluorophenyl)-6-ethyl-2-oxo-1,4-dihydropyrimidine-3,5-dicarboxylate Traditional Name: 4-(2,4-difluorophenyl)-6-ethyl-2-keto-1,4-dihydropyrimidine-3,5-dicarboxylic acid O5-benzyl ester O3-(4-nitrophenyl) ester Formula: C27H21F2N3O7 MolecularWeight: 537.468346

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(N(C(=O)N1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C3=C(C=C(C=C3)F)F)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(N(C(=O)N1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C3=C(C=C(C=C3)F)F)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H21F2N3O7/c1-2-22-23(25(33)38-15-16-6-4-3-5-7-16)24(20-13-8-17(28)14-21(20)29)31(26(34)30-22)27(35)39-19-11-9-18(10-12-19)32(36)37/h3-14,24H,2,15H2,1H3,(H,30,34)