(1S,3R,4R,5S)-3-(6-chloranylpyridin-3-yl)-5-methoxy-4-nitro-cyclohexan-1-ol

Systemtic Name: (1S,3R,4R,5S)-3-(6-chloranylpyridin-3-yl)-5-methoxy-4-nitro-cyclohexan-1-ol Openeye Name: (1S,3R,4R,5S)-3-(6-chloro-3-pyridyl)-5-methoxy-4-nitro-cyclohexanol CAS Name: (1S,3R,4R,5S)-3-(6-chloro-3-pyridinyl)-5-methoxy-4-nitro-1-cyclohexanol IUPAC Name: (1S,3R,4R,5S)-3-(6-chloropyridin-3-yl)-5-methoxy-4-nitrocyclohexan-1-ol Traditional Name: (1S,3R,4R,5S)-3-(6-chloro-3-pyridyl)-5-methoxy-4-nitro-cyclohexanol Formula: C12H15ClN2O4 MolecularWeight: 286.7115

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(CC(C1[N+](=O)[O-])C2=CN=C(C=C2)Cl)O

Isomeric SMILES

CO[C@H]1C[C@H](C[C@@H]([C@H]1[N+](=O)[O-])C2=CN=C(C=C2)Cl)O

InChI

InChI=1S/C12H15ClN2O4/c1-19-10-5-8(16)4-9(12(10)15(17)18)7-2-3-11(13)14-6-7/h2-3,6,8-10,12,16H,4-5H2,1H3/t8-,9+,10-,12+/m0/s1