methyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-bromanyl-butanoate

Systemtic Name: methyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-bromanyl-butanoate Openeye Name: methyl 2-bromo-4-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: 2-bromo-4-(1,3-dioxo-2-isoindolyl)butanoic acid methyl ester IUPAC Name: methyl 2-bromo-4-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 2-bromo-4-phthalimido-butyric acid methyl ester Formula: C13H12BrNO4 MolecularWeight: 326.14268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCN1C(=O)C2=CC=CC=C2C1=O)Br

Isomeric SMILES

COC(=O)C(CCN1C(=O)C2=CC=CC=C2C1=O)Br

InChI

InChI=1S/C13H12BrNO4/c1-19-13(18)10(14)6-7-15-11(16)8-4-2-3-5-9(8)12(15)17/h2-5,10H,6-7H2,1H3