propyl (5S,6R)-4-methylidene-6-(3-nitro-4-oxidanyl-phenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: propyl (5S,6R)-4-methylidene-6-(3-nitro-4-oxidanyl-phenyl)-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: propyl (4R,5S)-4-(4-hydroxy-3-nitro-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(4-hydroxy-3-nitrophenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid propyl ester IUPAC Name: propyl (4R,5S)-4-(4-hydroxy-3-nitrophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(4-hydroxy-3-nitro-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid propyl ester Formula: C15H17N3O6 MolecularWeight: 335.31198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1C(NC(=O)NC1=C)C2=CC(=C(C=C2)O)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)[C@H]1[C@@H](NC(=O)NC1=C)C2=CC(=C(C=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O6/c1-3-6-24-14(20)12-8(2)16-15(21)17-13(12)9-4-5-11(19)10(7-9)18(22)23/h4-5,7,12-13,19H,2-3,6H2,1H3,(H2,16,17,21)/t12-,13+/m1/s1