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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)C(=O)C=CC3=C(C=CC=C3Cl)F)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)C(=O)/C=C/C3=C(C=CC=C3Cl)F)Br

InChI

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