[4-[[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenyl] 4-fluoranylbenzoate

Systemtic Name: [4-[[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenyl] 4-fluoranylbenzoate Openeye Name: [4-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [4-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenyl] ester IUPAC Name: [4-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [4-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenyl] ester Formula: C27H16FIN2O3 MolecularWeight: 562.330413

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)C2=NC3=C(O2)C=CC(=C3)N=CC4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC(=CC(=C1)I)C2=NC3=C(O2)C=CC(=C3)N=CC4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H16FIN2O3/c28-20-8-6-18(7-9-20)27(32)33-23-11-4-17(5-12-23)16-30-22-10-13-25-24(15-22)31-26(34-25)19-2-1-3-21(29)14-19/h1-16H