diethyl 2-[[3-(4-ethoxyphenyl)-5-oxidanylidene-2H-1,2,3-oxadiazol-3-ium-4-yl]methylidene]propanedioate

Systemtic Name: diethyl 2-[[3-(4-ethoxyphenyl)-5-oxidanylidene-2H-1,2,3-oxadiazol-3-ium-4-yl]methylidene]propanedioate Openeye Name: diethyl 2-[[3-(4-ethoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-yl]methylene]propanedioate CAS Name: 2-[[3-(4-ethoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-yl]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[3-(4-ethoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-yl]methylidene]propanedioate Traditional Name: 2-[(5-keto-3-p-phenetyl-2H-oxadiazol-3-ium-4-yl)methylene]malonic acid diethyl ester Formula: C18H21N2O7+ MolecularWeight: 377.36854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)[N+]2=C(C(=O)ON2)C=C(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)[N+]2=C(C(=O)ON2)C=C(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C18H20N2O7/c1-4-24-13-9-7-12(8-10-13)20-15(18(23)27-19-20)11-14(16(21)25-5-2)17(22)26-6-3/h7-11H,4-6H2,1-3H3/p+1