ethyl (4R,5S)-2-morpholin-4-yl-4-(3-nitrophenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R,5S)-2-morpholin-4-yl-4-(3-nitrophenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R,5S)-2-morpholino-4-(3-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R,5S)-2-(4-morpholinyl)-4-(3-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,5S)-2-morpholin-4-yl-4-(3-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R,5S)-6-keto-2-morpholino-4-(3-nitrophenyl)-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H20N4O6 MolecularWeight: 376.3639

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N=C(NC1=O)N2CCOCC2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](N=C(NC1=O)N2CCOCC2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O6/c1-2-27-16(23)13-14(11-4-3-5-12(10-11)21(24)25)18-17(19-15(13)22)20-6-8-26-9-7-20/h3-5,10,13-14H,2,6-9H2,1H3,(H,18,19,22)/t13-,14-/m0/s1