1-(1-tert-butyl-5-oxidanylidene-pyrrolidin-3-yl)carbonyl-N-(2-chloranyl-4-nitro-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-(1-tert-butyl-5-oxidanylidene-pyrrolidin-3-yl)carbonyl-N-(2-chloranyl-4-nitro-phenyl)piperidine-4-carboxamide Openeye Name: 1-(1-tert-butyl-5-oxo-pyrrolidine-3-carbonyl)-N-(2-chloro-4-nitro-phenyl)piperidine-4-carboxamide CAS Name: 1-[(1-tert-butyl-5-oxo-3-pyrrolidinyl)-oxomethyl]-N-(2-chloro-4-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-(2-chloro-4-nitrophenyl)piperidine-4-carboxamide Traditional Name: 1-(1-tert-butyl-5-keto-pyrrolidine-3-carbonyl)-N-(2-chloro-4-nitro-phenyl)isonipecotamide Formula: C21H27ClN4O5 MolecularWeight: 450.91588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN4O5/c1-21(2,3)25-12-14(10-18(25)27)20(29)24-8-6-13(7-9-24)19(28)23-17-5-4-15(26(30)31)11-16(17)22/h4-5,11,13-14H,6-10,12H2,1-3H3,(H,23,28)