(4-bromanyl-2-fluoranyl-phenyl)methyl 4-cyanobenzoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 4-cyanobenzoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid (4-bromo-2-fluoro-benzyl) ester Formula: C15H9BrFNO2 MolecularWeight: 334.139863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)OCC2=C(C=C(C=C2)Br)F

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)OCC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C15H9BrFNO2/c16-13-6-5-12(14(17)7-13)9-20-15(19)11-3-1-10(8-18)2-4-11/h1-7H,9H2