[2-acetyloxy-1-(4-bromophenyl)-2-(1-methyl-5-nitro-imidazol-2-yl)ethyl] ethanoate

Systemtic Name: [2-acetyloxy-1-(4-bromophenyl)-2-(1-methyl-5-nitro-imidazol-2-yl)ethyl] ethanoate Openeye Name: [2-acetoxy-1-(4-bromophenyl)-2-(1-methyl-5-nitro-imidazol-2-yl)ethyl] acetate CAS Name: acetic acid [2-acetyloxy-1-(4-bromophenyl)-2-(1-methyl-5-nitro-2-imidazolyl)ethyl] ester IUPAC Name: [2-acetyloxy-1-(4-bromophenyl)-2-(1-methyl-5-nitroimidazol-2-yl)ethyl] acetate Traditional Name: acetic acid [2-acetoxy-1-(4-bromophenyl)-2-(1-methyl-5-nitro-imidazol-2-yl)ethyl] ester Formula: C16H16BrN3O6 MolecularWeight: 426.21874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC=C(C=C1)Br)C(C2=NC=C(N2C)[N+](=O)[O-])OC(=O)C

Isomeric SMILES

CC(=O)OC(C1=CC=C(C=C1)Br)C(C2=NC=C(N2C)[N+](=O)[O-])OC(=O)C

InChI

InChI=1S/C16H16BrN3O6/c1-9(21)25-14(11-4-6-12(17)7-5-11)15(26-10(2)22)16-18-8-13(19(16)3)20(23)24/h4-8,14-15H,1-3H3