tert-butyl 2-(2-cyanopyrrolidin-1-yl)carbonyl-4-(4-nitrophenyl)carbonyloxy-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-(2-cyanopyrrolidin-1-yl)carbonyl-4-(4-nitrophenyl)carbonyloxy-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-(2-cyanopyrrolidine-1-carbonyl)-4-(4-nitrobenzoyl)oxy-pyrrolidine-1-carboxylate CAS Name: 2-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-4-[(4-nitrophenyl)-oxomethoxy]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-cyanopyrrolidine-1-carbonyl)-4-(4-nitrobenzoyl)oxypyrrolidine-1-carboxylate Traditional Name: 2-(2-cyanopyrrolidine-1-carbonyl)-4-(4-nitrobenzoyl)oxy-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H26N4O7 MolecularWeight: 458.46444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCCC2C#N)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCCC2C#N)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O7/c1-22(2,3)33-21(29)25-13-17(11-18(25)19(27)24-10-4-5-16(24)12-23)32-20(28)14-6-8-15(9-7-14)26(30)31/h6-9,16-18H,4-5,10-11,13H2,1-3H3