2-[4-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanedioic acid

Systemtic Name: 2-[4-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanedioic acid Openeye Name: 2-(4-methyl-1,3-dioxo-isoindolin-2-yl)propanedioic acid CAS Name: 2-(4-methyl-1,3-dioxo-2-isoindolyl)propanedioic acid IUPAC Name: 2-(4-methyl-1,3-dioxoisoindol-2-yl)propanedioic acid Traditional Name: 2-(1,3-diketo-4-methyl-isoindolin-2-yl)malonic acid Formula: C12H9NO6 MolecularWeight: 263.20296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C(=O)N(C2=O)C(C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=CC2=C1C(=O)N(C2=O)C(C(=O)O)C(=O)O

InChI

InChI=1S/C12H9NO6/c1-5-3-2-4-6-7(5)10(15)13(9(6)14)8(11(16)17)12(18)19/h2-4,8H,1H3,(H,16,17)(H,18,19)