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

Systemtic Name: (3R,4R,5S)-3-(6-chloranylpyridin-3-yl)-5-methoxy-4-nitro-cyclohexan-1-one Openeye Name: (3R,4R,5S)-3-(6-chloro-3-pyridyl)-5-methoxy-4-nitro-cyclohexanone CAS Name: (3R,4R,5S)-3-(6-chloro-3-pyridinyl)-5-methoxy-4-nitro-1-cyclohexanone IUPAC Name: (3R,4R,5S)-3-(6-chloropyridin-3-yl)-5-methoxy-4-nitrocyclohexan-1-one Traditional Name: (3R,4R,5S)-3-(6-chloro-3-pyridyl)-5-methoxy-4-nitro-cyclohexanone Formula: C12H13ClN2O4 MolecularWeight: 284.69562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN2O4/c1-19-10-5-8(16)4-9(12(10)15(17)18)7-2-3-11(13)14-6-7/h2-3,6,9-10,12H,4-5H2,1H3/t9-,10+,12-/m1/s1