ethenyl 3-cyano-3-(5-iodanylpyridin-3-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate

Systemtic Name: ethenyl 3-cyano-3-(5-iodanylpyridin-3-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate Openeye Name: vinyl 3-cyano-3-(5-iodo-3-pyridyl)-8-azabicyclo[3.2.1]octane-8-carboxylate CAS Name: 3-cyano-3-(5-iodo-3-pyridinyl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid ethenyl ester IUPAC Name: ethenyl 3-cyano-3-(5-iodopyridin-3-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate Traditional Name: 3-cyano-3-(5-iodo-3-pyridyl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid vinyl ester Formula: C16H16IN3O2 MolecularWeight: 409.22161

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Descriptors Computed from Structure

Canonical SMILES:

C=COC(=O)N1C2CCC1CC(C2)(C#N)C3=CC(=CN=C3)I

Isomeric SMILES

C=COC(=O)N1C2CCC1CC(C2)(C#N)C3=CC(=CN=C3)I

InChI

InChI=1S/C16H16IN3O2/c1-2-22-15(21)20-13-3-4-14(20)7-16(6-13,10-18)11-5-12(17)9-19-8-11/h2,5,8-9,13-14H,1,3-4,6-7H2