bis[(1-methyl-5-nitro-imidazol-2-yl)methyl] piperazine-1,4-dicarboxylate

Systemtic Name: bis[(1-methyl-5-nitro-imidazol-2-yl)methyl] piperazine-1,4-dicarboxylate Openeye Name: bis[(1-methyl-5-nitro-imidazol-2-yl)methyl] piperazine-1,4-dicarboxylate CAS Name: piperazine-1,4-dicarboxylic acid bis[(1-methyl-5-nitro-2-imidazolyl)methyl] ester IUPAC Name: bis[(1-methyl-5-nitroimidazol-2-yl)methyl] piperazine-1,4-dicarboxylate Traditional Name: piperazine-1,4-dicarboxylic acid bis[(1-methyl-5-nitro-imidazol-2-yl)methyl] ester Formula: C16H20N8O8 MolecularWeight: 452.3788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1COC(=O)N2CCN(CC2)C(=O)OCC3=NC=C(N3C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1COC(=O)N2CCN(CC2)C(=O)OCC3=NC=C(N3C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H20N8O8/c1-19-11(17-7-13(19)23(27)28)9-31-15(25)21-3-5-22(6-4-21)16(26)32-10-12-18-8-14(20(12)2)24(29)30/h7-8H,3-6,9-10H2,1-2H3