methyl (2S)-4-[1-(1H-indol-3-yl)-2-nitro-ethyl]-5-oxidanylidene-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-4-[1-(1H-indol-3-yl)-2-nitro-ethyl]-5-oxidanylidene-pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-4-[1-(1H-indol-3-yl)-2-nitro-ethyl]-5-oxo-pyrrolidine-2-carboxylate CAS Name: (2S)-4-[1-(1H-indol-3-yl)-2-nitroethyl]-5-oxo-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-4-[1-(1H-indol-3-yl)-2-nitroethyl]-5-oxopyrrolidine-2-carboxylate Traditional Name: (2S)-4-[1-(1H-indol-3-yl)-2-nitro-ethyl]-5-keto-pyrrolidine-2-carboxylic acid methyl ester Formula: C16H17N3O5 MolecularWeight: 331.32328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C(=O)N1)C(C[N+](=O)[O-])C2=CNC3=CC=CC=C32

Isomeric SMILES

COC(=O)[C@@H]1CC(C(=O)N1)C(C[N+](=O)[O-])C2=CNC3=CC=CC=C32

InChI

InChI=1S/C16H17N3O5/c1-24-16(21)14-6-10(15(20)18-14)12(8-19(22)23)11-7-17-13-5-3-2-4-9(11)13/h2-5,7,10,12,14,17H,6,8H2,1H3,(H,18,20)/t10?,12?,14-/m0/s1