tert-butyl (2S)-2-[(2R,3R)-3-(1H-indol-3-yl)-4-methoxy-1-nitro-4-oxidanylidene-butan-2-yl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(2R,3R)-3-(1H-indol-3-yl)-4-methoxy-1-nitro-4-oxidanylidene-butan-2-yl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(1R,2R)-2-(1H-indol-3-yl)-3-methoxy-1-(nitromethyl)-3-oxo-propyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(2R,3R)-3-(1H-indol-3-yl)-4-methoxy-1-nitro-4-oxobutan-2-yl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(2R,3R)-3-(1H-indol-3-yl)-4-methoxy-1-nitro-4-oxobutan-2-yl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(1R,2R)-2-(1H-indol-3-yl)-3-keto-3-methoxy-1-(nitromethyl)propyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H29N3O6 MolecularWeight: 431.48216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O6/c1-22(2,3)31-21(27)24-11-7-10-18(24)16(13-25(28)29)19(20(26)30-4)15-12-23-17-9-6-5-8-14(15)17/h5-6,8-9,12,16,18-19,23H,7,10-11,13H2,1-4H3/t16-,18+,19+/m1/s1