[4-[(E)-3-(2-chloranyl-6-fluoranyl-phenyl)prop-2-enoyl]phenyl] 4-bromanylbenzoate

Systemtic Name: [4-[(E)-3-(2-chloranyl-6-fluoranyl-phenyl)prop-2-enoyl]phenyl] 4-bromanylbenzoate Openeye Name: [4-[(E)-3-(2-chloro-6-fluoro-phenyl)prop-2-enoyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[(E)-3-(2-chloro-6-fluorophenyl)-1-oxoprop-2-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[(E)-3-(2-chloro-6-fluoro-phenyl)acryloyl]phenyl] ester Formula: C22H13BrClFO3 MolecularWeight: 459.692223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)C=CC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)/C=C/C(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br)F

InChI

InChI=1S/C22H13BrClFO3/c23-16-8-4-15(5-9-16)22(27)28-17-10-6-14(7-11-17)21(26)13-12-18-19(24)2-1-3-20(18)25/h1-13H/b13-12+