tert-butyl (2R,3S)-3-(4-nitrophenyl)carbonyloxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2R,3S)-3-(4-nitrophenyl)carbonyloxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2R,3S)-2-(benzyloxymethyl)-3-(4-nitrobenzoyl)oxy-pyrrolidine-1-carboxylate CAS Name: (2R,3S)-3-[(4-nitrophenyl)-oxomethoxy]-2-(phenylmethoxymethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3S)-3-(4-nitrobenzoyl)oxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate Traditional Name: (2R,3S)-2-(benzoxymethyl)-3-(4-nitrobenzoyl)oxy-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C24H28N2O7 MolecularWeight: 456.48832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1COCC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@@H]([C@H]1COCC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H28N2O7/c1-24(2,3)33-23(28)25-14-13-21(20(25)16-31-15-17-7-5-4-6-8-17)32-22(27)18-9-11-19(12-10-18)26(29)30/h4-12,20-21H,13-16H2,1-3H3/t20-,21+/m1/s1