1-azabicyclo[2.2.2]octan-3-yl 1-(3-nitrophenyl)cyclobutane-1-carboxylate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 1-(3-nitrophenyl)cyclobutane-1-carboxylate Openeye Name: quinuclidin-3-yl 1-(3-nitrophenyl)cyclobutanecarboxylate CAS Name: 1-(3-nitrophenyl)-1-cyclobutanecarboxylic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 1-(3-nitrophenyl)cyclobutane-1-carboxylate Traditional Name: 1-(3-nitrophenyl)cyclobutanecarboxylic acid quinuclidin-3-yl ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)(C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC3CN4CCC3CC4

Isomeric SMILES

C1CC(C1)(C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC3CN4CCC3CC4

InChI

InChI=1S/C18H22N2O4/c21-17(24-16-12-19-9-5-13(16)6-10-19)18(7-2-8-18)14-3-1-4-15(11-14)20(22)23/h1,3-4,11,13,16H,2,5-10,12H2