methyl (E)-3-methoxy-3-oxidanyl-2-[3-(phenylcarbonyl)pyridin-1-ium-1-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-methoxy-3-oxidanyl-2-[3-(phenylcarbonyl)pyridin-1-ium-1-yl]prop-2-enoate Openeye Name: methyl (E)-2-(3-benzoylpyridin-1-ium-1-yl)-3-hydroxy-3-methoxy-prop-2-enoate CAS Name: (E)-2-(3-benzoyl-1-pyridin-1-iumyl)-3-hydroxy-3-methoxy-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-(3-benzoylpyridin-1-ium-1-yl)-3-hydroxy-3-methoxyprop-2-enoate Traditional Name: (E)-2-(3-benzoylpyridin-1-ium-1-yl)-3-hydroxy-3-methoxy-acrylic acid methyl ester Formula: C17H16NO5+ MolecularWeight: 314.31264

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Descriptors Computed from Structure

Canonical SMILES:

COC(=C(C(=O)OC)[N+]1=CC=CC(=C1)C(=O)C2=CC=CC=C2)O

Isomeric SMILES

CO/C(=C(\C(=O)OC)/[N+]1=CC=CC(=C1)C(=O)C2=CC=CC=C2)/O

InChI

InChI=1S/C17H15NO5/c1-22-16(20)14(17(21)23-2)18-10-6-9-13(11-18)15(19)12-7-4-3-5-8-12/h3-11H,1-2H3/p+1