ethyl (4S)-3-ethanoyl-4-(3-nitrophenyl)-2-oxidanylidene-6-phenyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-3-ethanoyl-4-(3-nitrophenyl)-2-oxidanylidene-6-phenyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (4S)-3-acetyl-4-(3-nitrophenyl)-2-oxo-6-phenyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: (4S)-3-acetyl-4-(3-nitrophenyl)-2-oxo-6-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-3-acetyl-4-(3-nitrophenyl)-2-oxo-6-phenyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: (4S)-3-acetyl-2-keto-4-(3-nitrophenyl)-6-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)N(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N([C@H]1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O6/c1-3-30-20(26)17-18(14-8-5-4-6-9-14)22-21(27)23(13(2)25)19(17)15-10-7-11-16(12-15)24(28)29/h4-12,19H,3H2,1-2H3,(H,22,27)/t19-/m0/s1