2-methoxy-4-[(4S,5S)-6-methylidene-2-oxidanylidene-5-propoxycarbonyl-1,3-diazinan-4-yl]-6-nitro-phenolate

Systemtic Name: 2-methoxy-4-[(4S,5S)-6-methylidene-2-oxidanylidene-5-propoxycarbonyl-1,3-diazinan-4-yl]-6-nitro-phenolate Openeye Name: 2-methoxy-4-[(4S,5S)-6-methylene-2-oxo-5-propoxycarbonyl-hexahydropyrimidin-4-yl]-6-nitro-phenolate CAS Name: 2-methoxy-4-[(4S,5S)-6-methylene-2-oxo-5-[oxo(propoxy)methyl]-1,3-diazinan-4-yl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[(4S,5S)-6-methylidene-2-oxo-5-propoxycarbonyl-1,3-diazinan-4-yl]-6-nitrophenolate Traditional Name: 4-[(4S,5S)-2-keto-6-methylene-5-propoxycarbonyl-hexahydropyrimidin-4-yl]-2-methoxy-6-nitro-phenolate Formula: C16H18N3O7- MolecularWeight: 364.33002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O7/c1-4-5-26-15(21)12-8(2)17-16(22)18-13(12)9-6-10(19(23)24)14(20)11(7-9)25-3/h6-7,12-13,20H,2,4-5H2,1,3H3,(H2,17,18,22)/p-1/t12-,13-/m1/s1