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

Systemtic Name: 2-methoxy-4-[6-methylidene-5-(2-methylpropoxycarbonyl)-2-oxidanylidene-1,3-diazinan-4-yl]-6-nitro-phenolate Openeye Name: 4-(5-isobutoxycarbonyl-6-methylene-2-oxo-hexahydropyrimidin-4-yl)-2-methoxy-6-nitro-phenolate CAS Name: 2-methoxy-4-[6-methylene-5-[2-methylpropoxy(oxo)methyl]-2-oxo-1,3-diazinan-4-yl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[6-methylidene-5-(2-methylpropoxycarbonyl)-2-oxo-1,3-diazinan-4-yl]-6-nitrophenolate Traditional Name: 4-(5-isobutoxycarbonyl-2-keto-6-methylene-hexahydropyrimidin-4-yl)-2-methoxy-6-nitro-phenolate Formula: C17H20N3O7- MolecularWeight: 378.3566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O7/c1-8(2)7-27-16(22)13-9(3)18-17(23)19-14(13)10-5-11(20(24)25)15(21)12(6-10)26-4/h5-6,8,13-14,21H,3,7H2,1-2,4H3,(H2,18,19,23)/p-1