1-(1-tert-butyl-5-oxidanylidene-pyrrolidin-3-yl)carbonyl-N-(3-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: 1-(1-tert-butyl-5-oxidanylidene-pyrrolidin-3-yl)carbonyl-N-(3-nitrophenyl)piperidine-4-carboxamide Openeye Name: 1-(1-tert-butyl-5-oxo-pyrrolidine-3-carbonyl)-N-(3-nitrophenyl)piperidine-4-carboxamide CAS Name: 1-[(1-tert-butyl-5-oxo-3-pyrrolidinyl)-oxomethyl]-N-(3-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-(3-nitrophenyl)piperidine-4-carboxamide Traditional Name: 1-(1-tert-butyl-5-keto-pyrrolidine-3-carbonyl)-N-(3-nitrophenyl)isonipecotamide Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CC(CC1=O)C(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)N1CC(CC1=O)C(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O5/c1-21(2,3)24-13-15(11-18(24)26)20(28)23-9-7-14(8-10-23)19(27)22-16-5-4-6-17(12-16)25(29)30/h4-6,12,14-15H,7-11,13H2,1-3H3,(H,22,27)