N,N,N',N'-tetrakis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]pentane-1,5-diamine

Systemtic Name: N,N,N',N'-tetrakis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]pentane-1,5-diamine Openeye Name: N,N,N',N'-tetrakis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]pentane-1,5-diamine CAS Name: N,N,N',N'-tetrakis[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]pentane-1,5-diamine IUPAC Name: N,N,N',N'-tetrakis[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]pentane-1,5-diamine Traditional Name: 5-[bis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]amino]pentyl-bis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]amine Formula: C29H42N14O8 MolecularWeight: 714.73278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCN(CCCCCN(CCN2C(=NC=C2[N+](=O)[O-])C)CCN3C(=NC=C3[N+](=O)[O-])C)CCN4C(=NC=C4[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCN(CCCCCN(CCN2C(=NC=C2[N+](=O)[O-])C)CCN3C(=NC=C3[N+](=O)[O-])C)CCN4C(=NC=C4[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C29H42N14O8/c1-22-30-18-26(40(44)45)36(22)14-10-34(11-15-37-23(2)31-19-27(37)41(46)47)8-6-5-7-9-35(12-16-38-24(3)32-20-28(38)42(48)49)13-17-39-25(4)33-21-29(39)43(50)51/h18-21H,5-17H2,1-4H3