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

Systemtic Name: 2-[4-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanedioic acid Openeye Name: 2-(4-methyl-1,3-dioxo-isoindolin-2-yl)butanedioic acid CAS Name: 2-(4-methyl-1,3-dioxo-2-isoindolyl)butanedioic acid IUPAC Name: 2-(4-methyl-1,3-dioxoisoindol-2-yl)butanedioic acid Traditional Name: 2-(1,3-diketo-4-methyl-isoindolin-2-yl)succinic acid Formula: C13H11NO6 MolecularWeight: 277.22954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO6/c1-6-3-2-4-7-10(6)12(18)14(11(7)17)8(13(19)20)5-9(15)16/h2-4,8H,5H2,1H3,(H,15,16)(H,19,20)