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

Systemtic Name: 4-[6-methylidene-5-(2-methylpropoxycarbonyl)-2-oxidanylidene-1,3-diazinan-4-yl]-2-nitro-phenolate Openeye Name: 4-(5-isobutoxycarbonyl-6-methylene-2-oxo-hexahydropyrimidin-4-yl)-2-nitro-phenolate CAS Name: 4-[6-methylene-5-[2-methylpropoxy(oxo)methyl]-2-oxo-1,3-diazinan-4-yl]-2-nitrophenolate IUPAC Name: 4-[6-methylidene-5-(2-methylpropoxycarbonyl)-2-oxo-1,3-diazinan-4-yl]-2-nitrophenolate Traditional Name: 4-(5-isobutoxycarbonyl-2-keto-6-methylene-hexahydropyrimidin-4-yl)-2-nitro-phenolate Formula: C16H18N3O6- MolecularWeight: 348.33062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O6/c1-8(2)7-25-15(21)13-9(3)17-16(22)18-14(13)10-4-5-12(20)11(6-10)19(23)24/h4-6,8,13-14,20H,3,7H2,1-2H3,(H2,17,18,22)/p-1