tert-butyl 2-(2-cyanopyrrolidin-1-yl)carbonyl-4-[(3-nitropyridin-2-yl)amino]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-(2-cyanopyrrolidin-1-yl)carbonyl-4-[(3-nitropyridin-2-yl)amino]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-(2-cyanopyrrolidine-1-carbonyl)-4-[(3-nitro-2-pyridyl)amino]pyrrolidine-1-carboxylate CAS Name: 2-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-4-[(3-nitro-2-pyridinyl)amino]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-cyanopyrrolidine-1-carbonyl)-4-[(3-nitropyridin-2-yl)amino]pyrrolidine-1-carboxylate Traditional Name: 2-(2-cyanopyrrolidine-1-carbonyl)-4-[(3-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=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCCC2C#N)NC3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N6O5/c1-20(2,3)31-19(28)25-12-13(23-17-15(26(29)30)7-4-8-22-17)10-16(25)18(27)24-9-5-6-14(24)11-21/h4,7-8,13-14,16H,5-6,9-10,12H2,1-3H3,(H,22,23)