(E)-1,3-dimethoxy-3-oxidanylidene-2-[3-(phenylcarbonyl)pyridin-1-ium-1-yl]prop-1-en-1-olate

Systemtic Name: (E)-1,3-dimethoxy-3-oxidanylidene-2-[3-(phenylcarbonyl)pyridin-1-ium-1-yl]prop-1-en-1-olate Openeye Name: (E)-2-(3-benzoylpyridin-1-ium-1-yl)-1,3-dimethoxy-3-oxo-prop-1-en-1-olate CAS Name: (E)-2-(3-benzoyl-1-pyridin-1-iumyl)-1,3-dimethoxy-3-oxo-1-propen-1-olate IUPAC Name: (E)-2-(3-benzoylpyridin-1-ium-1-yl)-1,3-dimethoxy-3-oxoprop-1-en-1-olate Traditional Name: (E)-2-(3-benzoylpyridin-1-ium-1-yl)-3-keto-1,3-dimethoxy-prop-1-en-1-olate Formula: C17H15NO5 MolecularWeight: 313.3047

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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