N,N'-bis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]butane-1,4-diamine

Systemtic Name: N,N'-bis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]butane-1,4-diamine Openeye Name: N,N'-bis[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]butane-1,4-diamine CAS Name: N,N'-bis[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]butane-1,4-diamine IUPAC Name: N,N'-bis[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]butane-1,4-diamine Traditional Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl-[4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylamino]butyl]amine Formula: C16H26N8O4 MolecularWeight: 394.42884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCNCCCCNCCN2C(=NC=C2[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCNCCCCNCCN2C(=NC=C2[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C16H26N8O4/c1-13-19-11-15(23(25)26)21(13)9-7-17-5-3-4-6-18-8-10-22-14(2)20-12-16(22)24(27)28/h11-12,17-18H,3-10H2,1-2H3