prop-2-enyl 2-methyl-2-(2-methylprop-2-enyl)-1,3-bis(oxidanylidene)isoindol-2-ium-5-carboxylate

Systemtic Name: prop-2-enyl 2-methyl-2-(2-methylprop-2-enyl)-1,3-bis(oxidanylidene)isoindol-2-ium-5-carboxylate Openeye Name: allyl 2-methyl-2-(2-methylallyl)-1,3-dioxo-isoindolin-2-ium-5-carboxylate CAS Name: 2-methyl-2-(2-methylprop-2-enyl)-1,3-dioxo-5-isoindol-2-iumcarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 2-methyl-2-(2-methylprop-2-enyl)-1,3-dioxoisoindol-2-ium-5-carboxylate Traditional Name: 1,3-diketo-2-methyl-2-(2-methylallyl)isoindolin-2-ium-5-carboxylic acid allyl ester Formula: C17H18NO4+ MolecularWeight: 300.32912

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C[N+]1(C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC=C)C

Isomeric SMILES

CC(=C)C[N+]1(C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC=C)C

InChI

InChI=1S/C17H18NO4/c1-5-8-22-17(21)12-6-7-13-14(9-12)16(20)18(4,15(13)19)10-11(2)3/h5-7,9H,1-2,8,10H2,3-4H3/q+1