tert-butyl 2-cyano-4-[(3,5-dinitropyridin-2-yl)amino]-2-pyrrolidin-2-ylcarbonyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-cyano-4-[(3,5-dinitropyridin-2-yl)amino]-2-pyrrolidin-2-ylcarbonyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-cyano-4-[(3,5-dinitro-2-pyridyl)amino]-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate CAS Name: 2-cyano-4-[(3,5-dinitro-2-pyridinyl)amino]-2-[oxo(2-pyrrolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-4-[(3,5-dinitropyridin-2-yl)amino]-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 2-cyano-4-[(3,5-dinitro-2-pyridyl)amino]-2-prolyl-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(CC1(C#N)C(=O)C2CCCN2)NC3=C(C=C(C=N3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H25N7O7/c1-19(2,3)34-18(29)25-10-12(8-20(25,11-21)16(28)14-5-4-6-22-14)24-17-15(27(32)33)7-13(9-23-17)26(30)31/h7,9,12,14,22H,4-6,8,10H2,1-3H3,(H,23,24)