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

Systemtic Name: 3-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoic acid Openeye Name: 3-(5-methyl-1,3-dioxo-isoindolin-2-yl)propanoic acid CAS Name: 3-(5-methyl-1,3-dioxo-2-isoindolyl)propanoic acid IUPAC Name: 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoic acid Traditional Name: 3-(1,3-diketo-5-methyl-isoindolin-2-yl)propionic acid Formula: C12H11NO4 MolecularWeight: 233.22004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCC(=O)O

InChI

InChI=1S/C12H11NO4/c1-7-2-3-8-9(6-7)12(17)13(11(8)16)5-4-10(14)15/h2-3,6H,4-5H2,1H3,(H,14,15)