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

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 2-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)propanoic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 2-phthalimidopropionic acid (4-bromo-2-fluoro-benzyl) ester Formula: C18H13BrFNO4 MolecularWeight: 406.202523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=C(C=C(C=C1)Br)F)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C(=O)OCC1=C(C=C(C=C1)Br)F)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H13BrFNO4/c1-10(18(24)25-9-11-6-7-12(19)8-15(11)20)21-16(22)13-4-2-3-5-14(13)17(21)23/h2-8,10H,9H2,1H3