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

Systemtic Name: tert-butyl 2-(2-cyanopyrrolidin-1-yl)carbonyl-4-[(2-fluoranyl-4-nitro-phenyl)amino]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-(2-cyanopyrrolidine-1-carbonyl)-4-(2-fluoro-4-nitro-anilino)pyrrolidine-1-carboxylate CAS Name: 2-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-4-(2-fluoro-4-nitroanilino)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-cyanopyrrolidine-1-carbonyl)-4-(2-fluoro-4-nitroanilino)pyrrolidine-1-carboxylate Traditional Name: 2-(2-cyanopyrrolidine-1-carbonyl)-4-(2-fluoro-4-nitro-anilino)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H26FN5O5 MolecularWeight: 447.460043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN5O5/c1-21(2,3)32-20(29)26-12-13(24-17-7-6-14(27(30)31)10-16(17)22)9-18(26)19(28)25-8-4-5-15(25)11-23/h6-7,10,13,15,18,24H,4-5,8-9,12H2,1-3H3