methyl (2S)-1-[(2S)-2-(4-nitroimidazol-1-yl)octanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[(2S)-2-(4-nitroimidazol-1-yl)octanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(2S)-2-(4-nitroimidazol-1-yl)octanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-2-(4-nitro-1-imidazolyl)-1-oxooctyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(2S)-2-(4-nitroimidazol-1-yl)octanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-2-(4-nitroimidazol-1-yl)octanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C17H26N4O5 MolecularWeight: 366.41214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)N1CCCC1C(=O)OC)N2C=C(N=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)OC)N2C=C(N=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H26N4O5/c1-3-4-5-6-8-13(19-11-15(18-12-19)21(24)25)16(22)20-10-7-9-14(20)17(23)26-2/h11-14H,3-10H2,1-2H3/t13-,14-/m0/s1