tert-butyl 2-cyano-4-(4-nitrophenyl)carbonyloxy-2-pyrrolidin-2-ylcarbonyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-cyano-4-(4-nitrophenyl)carbonyloxy-2-pyrrolidin-2-ylcarbonyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-cyano-4-(4-nitrobenzoyl)oxy-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate CAS Name: 2-cyano-4-[(4-nitrophenyl)-oxomethoxy]-2-[oxo(2-pyrrolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-4-(4-nitrobenzoyl)oxy-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 2-cyano-4-(4-nitrobenzoyl)oxy-2-prolyl-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(CC1(C#N)C(=O)C2CCCN2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1(C#N)C(=O)C2CCCN2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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