tert-butyl (2S)-2-[1-(1H-indol-3-yl)-2-nitro-ethyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[1-(1H-indol-3-yl)-2-nitro-ethyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[1-(1H-indol-3-yl)-2-nitro-ethyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[1-(1H-indol-3-yl)-2-nitroethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[1-(1H-indol-3-yl)-2-nitroethyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[1-(1H-indol-3-yl)-2-nitro-ethyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(C[N+](=O)[O-])C2=CNC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(C[N+](=O)[O-])C2=CNC3=CC=CC=C32

InChI

InChI=1S/C19H25N3O4/c1-19(2,3)26-18(23)21-10-6-9-17(21)15(12-22(24)25)14-11-20-16-8-5-4-7-13(14)16/h4-5,7-8,11,15,17,20H,6,9-10,12H2,1-3H3/t15?,17-/m0/s1