tert-butyl 2-(2-cyanopyrrolidin-1-yl)carbonyl-4-[(5-nitropyridin-2-yl)amino]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-(2-cyanopyrrolidin-1-yl)carbonyl-4-[(5-nitropyridin-2-yl)amino]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-(2-cyanopyrrolidine-1-carbonyl)-4-[(5-nitro-2-pyridyl)amino]pyrrolidine-1-carboxylate CAS Name: 2-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-4-[(5-nitro-2-pyridinyl)amino]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-cyanopyrrolidine-1-carbonyl)-4-[(5-nitropyridin-2-yl)amino]pyrrolidine-1-carboxylate Traditional Name: 2-(2-cyanopyrrolidine-1-carbonyl)-4-[(5-nitro-2-pyridyl)amino]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H26N6O5 MolecularWeight: 430.45764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6O5/c1-20(2,3)31-19(28)25-12-13(23-17-7-6-15(11-22-17)26(29)30)9-16(25)18(27)24-8-4-5-14(24)10-21/h6-7,11,13-14,16H,4-5,8-9,12H2,1-3H3,(H,22,23)