2-[1,3-bis(oxidanylidene)-2-(1-phenoxyethyl)isoindol-2-ium-2-yl]ethanoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)-2-(1-phenoxyethyl)isoindol-2-ium-2-yl]ethanoate Openeye Name: 2-[1,3-dioxo-2-(1-phenoxyethyl)isoindolin-2-ium-2-yl]acetate CAS Name: 2-[1,3-dioxo-2-(1-phenoxyethyl)-2-isoindol-2-iumyl]acetate IUPAC Name: 2-[1,3-dioxo-2-(1-phenoxyethyl)isoindol-2-ium-2-yl]acetate Traditional Name: 2-[1,3-diketo-2-(1-phenoxyethyl)isoindolin-2-ium-2-yl]acetate Formula: C18H15NO5 MolecularWeight: 325.3154

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Descriptors Computed from Structure

Canonical SMILES:

CC([N+]1(C(=O)C2=CC=CC=C2C1=O)CC(=O)[O-])OC3=CC=CC=C3

Isomeric SMILES

CC([N+]1(C(=O)C2=CC=CC=C2C1=O)CC(=O)[O-])OC3=CC=CC=C3

InChI

InChI=1S/C18H15NO5/c1-12(24-13-7-3-2-4-8-13)19(11-16(20)21)17(22)14-9-5-6-10-15(14)18(19)23/h2-10,12H,11H2,1H3