1,3-bis(5-methyl-3-nitro-2-oxidanyl-phenyl)-1,3-diazinan-2-one

Systemtic Name: 1,3-bis(5-methyl-3-nitro-2-oxidanyl-phenyl)-1,3-diazinan-2-one Openeye Name: 1,3-bis(2-hydroxy-5-methyl-3-nitro-phenyl)hexahydropyrimidin-2-one CAS Name: 1,3-bis(2-hydroxy-5-methyl-3-nitrophenyl)-1,3-diazinan-2-one IUPAC Name: 1,3-bis(2-hydroxy-5-methyl-3-nitrophenyl)-1,3-diazinan-2-one Traditional Name: 1,3-bis(2-hydroxy-5-methyl-3-nitro-phenyl)hexahydropyrimidin-2-one Formula: C18H18N4O7 MolecularWeight: 402.35812

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