(phenylmethyl) 4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: (phenylmethyl) 4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: benzyl 4-(5-bromo-1,3-dioxo-isoindolin-2-yl)benzoate CAS Name: 4-(5-bromo-1,3-dioxo-2-isoindolyl)benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(5-bromo-1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 4-(5-bromo-1,3-diketo-isoindolin-2-yl)benzoic acid benzyl ester Formula: C22H14BrNO4 MolecularWeight: 436.25486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C22H14BrNO4/c23-16-8-11-18-19(12-16)21(26)24(20(18)25)17-9-6-15(7-10-17)22(27)28-13-14-4-2-1-3-5-14/h1-12H,13H2