ethyl (4S)-4-(3,4-diethoxy-5-nitro-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-(3,4-diethoxy-5-nitro-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(3,4-diethoxy-5-nitro-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(3,4-diethoxy-5-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(3,4-diethoxy-5-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(3,4-diethoxy-5-nitro-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H23N3O7 MolecularWeight: 393.39112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)[N+](=O)[O-])C2C(=C(NC(=O)N2)C)C(=O)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)[N+](=O)[O-])[C@H]2C(=C(NC(=O)N2)C)C(=O)OCC

InChI

InChI=1S/C18H23N3O7/c1-5-26-13-9-11(8-12(21(24)25)16(13)27-6-2)15-14(17(22)28-7-3)10(4)19-18(23)20-15/h8-9,15H,5-7H2,1-4H3,(H2,19,20,23)/t15-/m0/s1