[4-[(E)-3-(4-bromophenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-fluoranylbenzoate

Systemtic Name: [4-[(E)-3-(4-bromophenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-fluoranylbenzoate Openeye Name: [4-[(E)-3-(4-bromophenyl)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [4-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [4-[(E)-3-(4-bromophenyl)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C23H16BrFO4 MolecularWeight: 455.273143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)C2=CC=C(C=C2)Br)OC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)Br)OC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H16BrFO4/c1-28-22-14-15(2-12-20(26)16-4-8-18(24)9-5-16)3-13-21(22)29-23(27)17-6-10-19(25)11-7-17/h2-14H,1H3/b12-2+