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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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