4-methyl-2-[3-(5-methyl-3-nitro-2-oxidanyl-phenyl)-2-oxidanylidene-1,3-diazinan-1-yl]-6-nitro-phenolate

Systemtic Name: 4-methyl-2-[3-(5-methyl-3-nitro-2-oxidanyl-phenyl)-2-oxidanylidene-1,3-diazinan-1-yl]-6-nitro-phenolate Openeye Name: 2-[3-(2-hydroxy-5-methyl-3-nitro-phenyl)-2-oxo-hexahydropyrimidin-1-yl]-4-methyl-6-nitro-phenolate CAS Name: 2-[3-(2-hydroxy-5-methyl-3-nitrophenyl)-2-oxo-1,3-diazinan-1-yl]-4-methyl-6-nitrophenolate IUPAC Name: 2-[3-(2-hydroxy-5-methyl-3-nitrophenyl)-2-oxo-1,3-diazinan-1-yl]-4-methyl-6-nitrophenolate Traditional Name: 2-[3-(2-hydroxy-5-methyl-3-nitro-phenyl)-2-keto-hexahydropyrimidin-1-yl]-4-methyl-6-nitro-phenolate Formula: C18H17N4O7- MolecularWeight: 401.35018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])O)N2CCCN(C2=O)C3=C(C(=CC(=C3)C)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])O)N2CCCN(C2=O)C3=C(C(=CC(=C3)C)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H18N4O7/c1-10-6-12(16(23)14(8-10)21(26)27)19-4-3-5-20(18(19)25)13-7-11(2)9-15(17(13)24)22(28)29/h6-9,23-24H,3-5H2,1-2H3/p-1