tert-butyl 2-(2-cyanopyrrolidin-1-yl)carbonyl-4-[(4-nitrophenyl)amino]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-(2-cyanopyrrolidin-1-yl)carbonyl-4-[(4-nitrophenyl)amino]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-(2-cyanopyrrolidine-1-carbonyl)-4-(4-nitroanilino)pyrrolidine-1-carboxylate CAS Name: 2-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-4-(4-nitroanilino)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-cyanopyrrolidine-1-carbonyl)-4-(4-nitroanilino)pyrrolidine-1-carboxylate Traditional Name: 2-(2-cyanopyrrolidine-1-carbonyl)-4-(4-nitroanilino)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H27N5O5 MolecularWeight: 429.46958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCCC2C#N)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCCC2C#N)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O5/c1-21(2,3)31-20(28)25-13-15(23-14-6-8-16(9-7-14)26(29)30)11-18(25)19(27)24-10-4-5-17(24)12-22/h6-9,15,17-18,23H,4-5,10-11,13H2,1-3H3