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

Systemtic Name: ethyl (4S,5R)-4-(3,4-diethoxy-5-nitro-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4S,5R)-4-(3,4-diethoxy-5-nitro-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(3,4-diethoxy-5-nitrophenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5R)-4-(3,4-diethoxy-5-nitrophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(3,4-diethoxy-5-nitro-phenyl)-2-keto-6-methylene-hexahydropyrimidine-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(=C)NC(=O)N2)C(=O)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)[N+](=O)[O-])[C@@H]2[C@H](C(=C)NC(=O)N2)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/h8-9,14-15H,4-7H2,1-3H3,(H2,19,20,23)/t14-,15+/m0/s1