[1-iodanyl-3-(2-methyl-4-nitro-imidazol-1-yl)propan-2-yl] ethanoate

Systemtic Name: [1-iodanyl-3-(2-methyl-4-nitro-imidazol-1-yl)propan-2-yl] ethanoate Openeye Name: [1-(iodomethyl)-2-(2-methyl-4-nitro-imidazol-1-yl)ethyl] acetate CAS Name: acetic acid [1-iodo-3-(2-methyl-4-nitro-1-imidazolyl)propan-2-yl] ester IUPAC Name: [1-iodo-3-(2-methyl-4-nitroimidazol-1-yl)propan-2-yl] acetate Traditional Name: acetic acid [1-(iodomethyl)-2-(2-methyl-4-nitro-imidazol-1-yl)ethyl] ester Formula: C9H12IN3O4 MolecularWeight: 353.11375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1CC(CI)OC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CN1CC(CI)OC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C9H12IN3O4/c1-6-11-9(13(15)16)5-12(6)4-8(3-10)17-7(2)14/h5,8H,3-4H2,1-2H3