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

Systemtic Name: [(2S)-1-(2-methyl-5-nitro-imidazol-1-yl)-3-(2-oxidanylidenepyrrolidin-1-yl)propan-2-yl] ethanoate Openeye Name: [(1S)-1-[(2-methyl-5-nitro-imidazol-1-yl)methyl]-2-(2-oxopyrrolidin-1-yl)ethyl] acetate CAS Name: acetic acid [(2S)-1-(2-methyl-5-nitro-1-imidazolyl)-3-(2-oxo-1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: [(2S)-1-(2-methyl-5-nitroimidazol-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl] acetate Traditional Name: acetic acid [(1S)-1-[(2-ketopyrrolidino)methyl]-2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] ester Formula: C13H18N4O5 MolecularWeight: 310.30582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CC(CN2CCCC2=O)OC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1C[C@@H](CN2CCCC2=O)OC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O5/c1-9-14-6-12(17(20)21)16(9)8-11(22-10(2)18)7-15-5-3-4-13(15)19/h6,11H,3-5,7-8H2,1-2H3/t11-/m1/s1