tert-butyl 2-(2-cyanopyrrolidin-1-yl)carbonyl-4-[(3,5-dinitropyridin-2-yl)amino]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-(2-cyanopyrrolidin-1-yl)carbonyl-4-[(3,5-dinitropyridin-2-yl)amino]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-(2-cyanopyrrolidine-1-carbonyl)-4-[(3,5-dinitro-2-pyridyl)amino]pyrrolidine-1-carboxylate CAS Name: 2-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-4-[(3,5-dinitro-2-pyridinyl)amino]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-cyanopyrrolidine-1-carbonyl)-4-[(3,5-dinitropyridin-2-yl)amino]pyrrolidine-1-carboxylate Traditional Name: 2-(2-cyanopyrrolidine-1-carbonyl)-4-[(3,5-dinitro-2-pyridyl)amino]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H25N7O7 MolecularWeight: 475.4552

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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=N3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H25N7O7/c1-20(2,3)34-19(29)25-11-12(7-16(25)18(28)24-6-4-5-13(24)9-21)23-17-15(27(32)33)8-14(10-22-17)26(30)31/h8,10,12-13,16H,4-7,11H2,1-3H3,(H,22,23)