[1-chloranyl-3-(2-methyl-5-nitro-imidazol-1-yl)propan-2-yl] ethanoate

Systemtic Name: [1-chloranyl-3-(2-methyl-5-nitro-imidazol-1-yl)propan-2-yl] ethanoate Openeye Name: [1-(chloromethyl)-2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] acetate CAS Name: acetic acid [1-chloro-3-(2-methyl-5-nitro-1-imidazolyl)propan-2-yl] ester IUPAC Name: [1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-yl] acetate Traditional Name: acetic acid [1-(chloromethyl)-2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] ester Formula: C9H12ClN3O4 MolecularWeight: 261.66228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CC(CCl)OC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CC(CCl)OC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C9H12ClN3O4/c1-6-11-4-9(13(15)16)12(6)5-8(3-10)17-7(2)14/h4,8H,3,5H2,1-2H3