3-[4,5-dimethyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoic acid

Systemtic Name: 3-[4,5-dimethyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoic acid Openeye Name: 3-(4,5-dimethyl-1,3-dioxo-isoindolin-2-yl)propanoic acid CAS Name: 3-(4,5-dimethyl-1,3-dioxo-2-isoindolyl)propanoic acid IUPAC Name: 3-(4,5-dimethyl-1,3-dioxoisoindol-2-yl)propanoic acid Traditional Name: 3-(1,3-diketo-4,5-dimethyl-isoindolin-2-yl)propionic acid Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)N(C2=O)CCC(=O)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)N(C2=O)CCC(=O)O)C

InChI

InChI=1S/C13H13NO4/c1-7-3-4-9-11(8(7)2)13(18)14(12(9)17)6-5-10(15)16/h3-4H,5-6H2,1-2H3,(H,15,16)