methyl (1S,3S,4S,5R)-8-(3-fluoranylpropyl)-3-(4-iodanyl-3-nitro-phenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl (1S,3S,4S,5R)-8-(3-fluoranylpropyl)-3-(4-iodanyl-3-nitro-phenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl (1S,3S,4S,5R)-8-(3-fluoropropyl)-3-(4-iodo-3-nitro-phenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: (1S,3S,4S,5R)-8-(3-fluoropropyl)-3-(4-iodo-3-nitrophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl (1S,3S,4S,5R)-8-(3-fluoropropyl)-3-(4-iodo-3-nitrophenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (1S,3S,4S,5R)-8-(3-fluoropropyl)-3-(4-iodo-3-nitro-phenyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C18H22FIN2O4 MolecularWeight: 476.281153

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2CCC(N2CCCF)CC1C3=CC(=C(C=C3)I)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@@H]1[C@H]2CC[C@H](N2CCCF)C[C@@H]1C3=CC(=C(C=C3)I)[N+](=O)[O-]

InChI

InChI=1S/C18H22FIN2O4/c1-26-18(23)17-13(11-3-5-14(20)16(9-11)22(24)25)10-12-4-6-15(17)21(12)8-2-7-19/h3,5,9,12-13,15,17H,2,4,6-8,10H2,1H3/t12-,13+,15+,17-/m0/s1