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

Systemtic Name: 4-[5-(3-methylbutoxycarbonyl)-6-methylidene-2-oxidanylidene-1,3-diazinan-4-yl]-2-nitro-phenolate Openeye Name: 4-(5-isopentyloxycarbonyl-6-methylene-2-oxo-hexahydropyrimidin-4-yl)-2-nitro-phenolate CAS Name: 4-[5-[3-methylbutoxy(oxo)methyl]-6-methylene-2-oxo-1,3-diazinan-4-yl]-2-nitrophenolate IUPAC Name: 4-[5-(3-methylbutoxycarbonyl)-6-methylidene-2-oxo-1,3-diazinan-4-yl]-2-nitrophenolate Traditional Name: 4-(5-isoamoxycarbonyl-2-keto-6-methylene-hexahydropyrimidin-4-yl)-2-nitro-phenolate Formula: C17H20N3O6- MolecularWeight: 362.3572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O6/c1-9(2)6-7-26-16(22)14-10(3)18-17(23)19-15(14)11-4-5-13(21)12(8-11)20(24)25/h4-5,8-9,14-15,21H,3,6-7H2,1-2H3,(H2,18,19,23)/p-1