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

Systemtic Name: tert-butyl 2-cyano-4-[(2-fluoranyl-4-nitro-phenyl)amino]-2-pyrrolidin-2-ylcarbonyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-cyano-4-(2-fluoro-4-nitro-anilino)-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate CAS Name: 2-cyano-4-(2-fluoro-4-nitroanilino)-2-[oxo(2-pyrrolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-4-(2-fluoro-4-nitroanilino)-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 2-cyano-4-(2-fluoro-4-nitro-anilino)-2-prolyl-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(CC1(C#N)C(=O)C2CCCN2)NC3=C(C=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

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

InChI

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