[(1R,2R)-2-iodanylcyclohexyl] 4-nitrobenzoate

Systemtic Name: [(1R,2R)-2-iodanylcyclohexyl] 4-nitrobenzoate Openeye Name: [(1R,2R)-2-iodocyclohexyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1R,2R)-2-iodocyclohexyl] ester IUPAC Name: [(1R,2R)-2-iodocyclohexyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R,2R)-2-iodocyclohexyl] ester Formula: C13H14INO4 MolecularWeight: 375.15903

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])I

Isomeric SMILES

C1CC[C@H]([C@@H](C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])I

InChI

InChI=1S/C13H14INO4/c14-11-3-1-2-4-12(11)19-13(16)9-5-7-10(8-6-9)15(17)18/h5-8,11-12H,1-4H2/t11-,12-/m1/s1