O1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] O10-[(2-methyl-5-nitro-imidazol-1-yl)methyl] decanedioate

Systemtic Name: O1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] O10-[(2-methyl-5-nitro-imidazol-1-yl)methyl] decanedioate Openeye Name: O1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] O10-[(2-methyl-5-nitro-imidazol-1-yl)methyl] decanedioate CAS Name: decanedioic acid O1-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl] ester O10-[(2-methyl-5-nitro-1-imidazolyl)methyl] ester IUPAC Name: 1-O-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] 10-O-[(2-methyl-5-nitroimidazol-1-yl)methyl] decanedioate Traditional Name: sebacic acid O1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] ester O10-[(2-methyl-5-nitro-imidazol-1-yl)methyl] ester Formula: C21H30N6O8 MolecularWeight: 494.4983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)CCCCCCCCC(=O)OCN2C(=NC=C2[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)CCCCCCCCC(=O)OCN2C(=NC=C2[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C21H30N6O8/c1-16-22-13-18(26(30)31)24(16)11-12-34-20(28)9-7-5-3-4-6-8-10-21(29)35-15-25-17(2)23-14-19(25)27(32)33/h13-14H,3-12,15H2,1-2H3