tert-butyl 2-cyano-4-[(4-nitrophenyl)methylamino]-2-pyrrolidin-2-ylcarbonyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-cyano-4-[(4-nitrophenyl)methylamino]-2-pyrrolidin-2-ylcarbonyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-cyano-4-[(4-nitrophenyl)methylamino]-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate CAS Name: 2-cyano-4-[(4-nitrophenyl)methylamino]-2-[oxo(2-pyrrolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-4-[(4-nitrophenyl)methylamino]-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 2-cyano-4-[(4-nitrobenzyl)amino]-2-prolyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H29N5O5 MolecularWeight: 443.49616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1(C#N)C(=O)C2CCCN2)NCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1(C#N)C(=O)C2CCCN2)NCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O5/c1-21(2,3)32-20(29)26-13-16(25-12-15-6-8-17(9-7-15)27(30)31)11-22(26,14-23)19(28)18-5-4-10-24-18/h6-9,16,18,24-25H,4-5,10-13H2,1-3H3