2-[2-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-1,3-bis(oxidanylidene)isoindol-2-ium-2-yl]prop-2-enoate

Systemtic Name: 2-[2-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-1,3-bis(oxidanylidene)isoindol-2-ium-2-yl]prop-2-enoate Openeye Name: 2-[2-(2-hydroxy-1,1-dimethyl-2-oxo-ethyl)-1,3-dioxo-isoindolin-2-ium-2-yl]prop-2-enoate CAS Name: 2-[2-(1-hydroxy-2-methyl-1-oxopropan-2-yl)-1,3-dioxo-2-isoindol-2-iumyl]-2-propenoate IUPAC Name: 2-[2-(1-hydroxy-2-methyl-1-oxopropan-2-yl)-1,3-dioxoisoindol-2-ium-2-yl]prop-2-enoate Traditional Name: 2-[2-(2-hydroxy-2-keto-1,1-dimethyl-ethyl)-1,3-diketo-isoindolin-2-ium-2-yl]acrylate Formula: C15H13NO6 MolecularWeight: 303.26682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO6/c1-8(13(19)20)16(15(2,3)14(21)22)11(17)9-6-4-5-7-10(9)12(16)18/h4-7H,1H2,2-3H3,(H-,19,20,21,22)