5-[1,3-bis(oxidanylidene)-2-pyridin-2-yl-isoindol-2-ium-2-yl]-2-methyl-benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[1,3-bis(oxidanylidene)-2-pyridin-2-yl-isoindol-2-ium-2-yl]-2-methyl-benzene-1,3-dicarboxylic acid Openeye Name: 5-[1,3-dioxo-2-(2-pyridyl)isoindolin-2-ium-2-yl]-2-methyl-benzene-1,3-dicarboxylic acid CAS Name: 5-[1,3-dioxo-2-(2-pyridinyl)-2-isoindol-2-iumyl]-2-methylbenzene-1,3-dicarboxylic acid IUPAC Name: 5-(1,3-dioxo-2-pyridin-2-ylisoindol-2-ium-2-yl)-2-methylbenzene-1,3-dicarboxylic acid Traditional Name: 5-[1,3-diketo-2-(2-pyridyl)isoindolin-2-ium-2-yl]-2-methyl-isophthalic acid Formula: C22H15N2O6+ MolecularWeight: 403.3643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)O)[N+]2(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=N4)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)O)[N+]2(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=N4)C(=O)O

InChI

InChI=1S/C22H14N2O6/c1-12-16(21(27)28)10-13(11-17(12)22(29)30)24(18-8-4-5-9-23-18)19(25)14-6-2-3-7-15(14)20(24)26/h2-11H,1H3,(H-,27,28,29,30)/p+1