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

Systemtic Name: (E)-2-methyl-3-[2-(2-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)-1,3-bis(oxidanylidene)isoindol-2-ium-2-yl]prop-2-enoate Openeye Name: (E)-3-[2-(1-carboxy-1-methyl-propyl)-1,3-dioxo-isoindolin-2-ium-2-yl]-2-methyl-prop-2-enoate CAS Name: (E)-3-[2-(1-hydroxy-2-methyl-1-oxobutan-2-yl)-1,3-dioxo-2-isoindol-2-iumyl]-2-methyl-2-propenoate IUPAC Name: (E)-3-[2-(1-hydroxy-2-methyl-1-oxobutan-2-yl)-1,3-dioxoisoindol-2-ium-2-yl]-2-methylprop-2-enoate Traditional Name: (E)-3-[2-(1-carboxy-1-methyl-propyl)-1,3-diketo-isoindolin-2-ium-2-yl]-2-methyl-acrylate Formula: C17H17NO6 MolecularWeight: 331.31998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO6/c1-4-17(3,16(23)24)18(9-10(2)15(21)22)13(19)11-7-5-6-8-12(11)14(18)20/h5-9H,4H2,1-3H3,(H-,21,22,23,24)/b10-9+