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

Systemtic Name: tert-butyl (2S,3R)-2-aminocarbonyl-3-(4-nitrophenyl)carbonyloxy-pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,3R)-2-carbamoyl-3-(4-nitrobenzoyl)oxy-pyrrolidine-1-carboxylate CAS Name: (2S,3R)-2-carbamoyl-3-[(4-nitrophenyl)-oxomethoxy]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R)-2-carbamoyl-3-(4-nitrobenzoyl)oxypyrrolidine-1-carboxylate Traditional Name: (2S,3R)-2-carbamoyl-3-(4-nitrobenzoyl)oxy-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C17H21N3O7 MolecularWeight: 379.36454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1C(=O)N)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O7/c1-17(2,3)27-16(23)19-9-8-12(13(19)14(18)21)26-15(22)10-4-6-11(7-5-10)20(24)25/h4-7,12-13H,8-9H2,1-3H3,(H2,18,21)/t12-,13+/m1/s1