tert-butyl (2S,3R,4S)-4-nitro-3,5,5-triphenyl-pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S,3R,4S)-4-nitro-3,5,5-triphenyl-pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S,3R,4S)-4-nitro-3,5,5-triphenyl-pyrrolidine-2-carboxylate CAS Name: (2S,3R,4S)-4-nitro-3,5,5-triphenyl-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R,4S)-4-nitro-3,5,5-triphenylpyrrolidine-2-carboxylate Traditional Name: (2S,3R,4S)-4-nitro-3,5,5-triphenyl-pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C(C(C(N1)(C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1[C@H]([C@@H](C(N1)(C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O4/c1-26(2,3)33-25(30)23-22(19-13-7-4-8-14-19)24(29(31)32)27(28-23,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18,22-24,28H,1-3H3/t22-,23+,24+/m1/s1