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

Systemtic Name: 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]propanedioic acid Openeye Name: 2-[2-(1,3-dioxoisoindolin-2-yl)ethyl]propanedioic acid CAS Name: 2-[2-(1,3-dioxo-2-isoindolyl)ethyl]propanedioic acid IUPAC Name: 2-[2-(1,3-dioxoisoindol-2-yl)ethyl]propanedioic acid Traditional Name: 2-(2-phthalimidoethyl)malonic acid Formula: C13H11NO6 MolecularWeight: 277.22954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(C(=O)O)C(=O)O

InChI

InChI=1S/C13H11NO6/c15-10-7-3-1-2-4-8(7)11(16)14(10)6-5-9(12(17)18)13(19)20/h1-4,9H,5-6H2,(H,17,18)(H,19,20)