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

Systemtic Name: methyl 2-[1,3-bis(oxidanylidene)-2-(4-oxidanylideneazetidin-2-yl)isoindol-2-ium-2-yl]ethanoate Openeye Name: methyl 2-[1,3-dioxo-2-(4-oxoazetidin-2-yl)isoindolin-2-ium-2-yl]acetate CAS Name: 2-[1,3-dioxo-2-(4-oxo-2-azetidinyl)-2-isoindol-2-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[1,3-dioxo-2-(4-oxoazetidin-2-yl)isoindol-2-ium-2-yl]acetate Traditional Name: 2-[1,3-diketo-2-(4-ketoazetidin-2-yl)isoindolin-2-ium-2-yl]acetic acid methyl ester Formula: C14H13N2O5+ MolecularWeight: 289.26342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O5/c1-21-12(18)7-16(10-6-11(17)15-10)13(19)8-4-2-3-5-9(8)14(16)20/h2-5,10H,6-7H2,1H3/p+1