(6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 3-cyanobenzoate

Systemtic Name: (6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 3-cyanobenzoate Openeye Name: (6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid (6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid (6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C23H16BrNO4 MolecularWeight: 450.28144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)C4=CC=CC(=C4)C#N)Br

Isomeric SMILES

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)C4=CC=CC(=C4)C#N)Br

InChI

InChI=1S/C23H16BrNO4/c24-20-10-18(13-27-22(26)17-8-4-5-15(9-17)12-25)21-19(11-20)14-28-23(29-21)16-6-2-1-3-7-16/h1-11,23H,13-14H2