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

Systemtic Name: bis(phenylmethyl) 2-[1,3-bis(oxidanylidene)-2-(4-oxidanylideneazetidin-2-yl)isoindol-2-ium-2-yl]propanedioate Openeye Name: dibenzyl 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 bis(phenylmethyl) ester IUPAC Name: dibenzyl 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 dibenzyl ester Formula: C28H23N2O7+ MolecularWeight: 499.49142

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC1=O)[N+]2(C(=O)C3=CC=CC=C3C2=O)C(C(=O)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1C(NC1=O)[N+]2(C(=O)C3=CC=CC=C3C2=O)C(C(=O)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C28H22N2O7/c31-23-15-22(29-23)30(25(32)20-13-7-8-14-21(20)26(30)33)24(27(34)36-16-18-9-3-1-4-10-18)28(35)37-17-19-11-5-2-6-12-19/h1-14,22,24H,15-17H2/p+1