methyl 3-(4-azido-3-iodanyl-phenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl 3-(4-azido-3-iodanyl-phenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl 3-(4-azido-3-iodo-phenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: 3-(4-azido-3-iodophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-azido-3-iodophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: 3-(4-azido-3-iodo-phenyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C15H17IN4O2 MolecularWeight: 412.22555

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2CCC(N2)CC1C3=CC(=C(C=C3)N=[N+]=[N-])I

Isomeric SMILES

COC(=O)C1C2CCC(N2)CC1C3=CC(=C(C=C3)N=[N+]=[N-])I

InChI

InChI=1S/C15H17IN4O2/c1-22-15(21)14-10(7-9-3-5-13(14)18-9)8-2-4-12(19-20-17)11(16)6-8/h2,4,6,9-10,13-14,18H,3,5,7H2,1H3