tert-butyl 2-cyano-4-[(3-nitropyridin-2-yl)amino]-2-pyrrolidin-2-ylcarbonyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-cyano-4-[(3-nitropyridin-2-yl)amino]-2-pyrrolidin-2-ylcarbonyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-cyano-4-[(3-nitro-2-pyridyl)amino]-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate CAS Name: 2-cyano-4-[(3-nitro-2-pyridinyl)amino]-2-[oxo(2-pyrrolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-4-[(3-nitropyridin-2-yl)amino]-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 2-cyano-4-[(3-nitro-2-pyridyl)amino]-2-prolyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H26N6O5 MolecularWeight: 430.45764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1(C#N)C(=O)C2CCCN2)NC3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1(C#N)C(=O)C2CCCN2)NC3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N6O5/c1-19(2,3)31-18(28)25-11-13(24-17-15(26(29)30)7-5-9-23-17)10-20(25,12-21)16(27)14-6-4-8-22-14/h5,7,9,13-14,22H,4,6,8,10-11H2,1-3H3,(H,23,24)