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

Systemtic Name: tert-butyl 2-cyano-4-[(4-nitrophenyl)amino]-2-pyrrolidin-2-ylcarbonyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-cyano-4-(4-nitroanilino)-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate CAS Name: 2-cyano-4-(4-nitroanilino)-2-[oxo(2-pyrrolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-4-(4-nitroanilino)-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 2-cyano-4-(4-nitroanilino)-2-prolyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H27N5O5 MolecularWeight: 429.46958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1(C#N)C(=O)C2CCCN2)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1(C#N)C(=O)C2CCCN2)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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