diethyl 2-[1,3-bis(oxidanylidene)-2-(4-oxidanylideneazetidin-2-yl)isoindol-2-ium-2-yl]propanedioate

Systemtic Name: diethyl 2-[1,3-bis(oxidanylidene)-2-(4-oxidanylideneazetidin-2-yl)isoindol-2-ium-2-yl]propanedioate Openeye Name: diethyl 2-[1,3-dioxo-2-(4-oxoazetidin-2-yl)isoindolin-2-ium-2-yl]propanedioate CAS Name: 2-[1,3-dioxo-2-(4-oxo-2-azetidinyl)-2-isoindol-2-iumyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[1,3-dioxo-2-(4-oxoazetidin-2-yl)isoindol-2-ium-2-yl]propanedioate Traditional Name: 2-[1,3-diketo-2-(4-ketoazetidin-2-yl)isoindolin-2-ium-2-yl]malonic acid diethyl ester Formula: C18H19N2O7+ MolecularWeight: 375.35266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)[N+]1(C(=O)C2=CC=CC=C2C1=O)C3CC(=O)N3

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)[N+]1(C(=O)C2=CC=CC=C2C1=O)C3CC(=O)N3

InChI

InChI=1S/C18H18N2O7/c1-3-26-17(24)14(18(25)27-4-2)20(12-9-13(21)19-12)15(22)10-7-5-6-8-11(10)16(20)23/h5-8,12,14H,3-4,9H2,1-2H3/p+1