(2E,3S,4R,5S)-3-(6-chloranylpyridin-3-yl)-5-methoxy-4-nitro-2-[oxidanyl(prop-2-enoxy)methylidene]cyclohexan-1-one

Systemtic Name: (2E,3S,4R,5S)-3-(6-chloranylpyridin-3-yl)-5-methoxy-4-nitro-2-[oxidanyl(prop-2-enoxy)methylidene]cyclohexan-1-one Openeye Name: (2E,3S,4R,5S)-2-[allyloxy(hydroxy)methylene]-3-(6-chloro-3-pyridyl)-5-methoxy-4-nitro-cyclohexanone CAS Name: (2E,3S,4R,5S)-3-(6-chloro-3-pyridinyl)-2-[hydroxy(prop-2-enoxy)methylidene]-5-methoxy-4-nitro-1-cyclohexanone IUPAC Name: (2E,3S,4R,5S)-3-(6-chloropyridin-3-yl)-2-[hydroxy(prop-2-enoxy)methylidene]-5-methoxy-4-nitrocyclohexan-1-one Traditional Name: (2E,3S,4R,5S)-2-[allyloxy(hydroxy)methylene]-3-(6-chloro-3-pyridyl)-5-methoxy-4-nitro-cyclohexanone Formula: C16H17ClN2O6 MolecularWeight: 368.76898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN2O6/c1-3-6-25-16(21)14-10(20)7-11(24-2)15(19(22)23)13(14)9-4-5-12(17)18-8-9/h3-5,8,11,13,15,21H,1,6-7H2,2H3/b16-14-/t11-,13-,15-/m0/s1