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

Systemtic Name: methyl 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2,3-bis(bromanyl)propanoate Openeye Name: methyl 2,3-dibromo-3-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: 2,3-dibromo-3-(1,3-dioxo-2-isoindolyl)propanoic acid methyl ester IUPAC Name: methyl 2,3-dibromo-3-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 2,3-dibromo-3-phthalimido-propionic acid methyl ester Formula: C12H9Br2NO4 MolecularWeight: 391.01216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(N1C(=O)C2=CC=CC=C2C1=O)Br)Br

Isomeric SMILES

COC(=O)C(C(N1C(=O)C2=CC=CC=C2C1=O)Br)Br

InChI

InChI=1S/C12H9Br2NO4/c1-19-12(18)8(13)9(14)15-10(16)6-4-2-3-5-7(6)11(15)17/h2-5,8-9H,1H3