3-[5-[[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]furan-2-yl]benzoic acid

Systemtic Name: 3-[5-[[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-2-furyl]benzoic acid CAS Name: 3-[5-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]iminomethyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-2-furyl]benzoic acid Formula: C25H15IN2O4 MolecularWeight: 534.30207

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)C=NC3=CC4=C(C=C3)OC(=N4)C5=CC(=CC=C5)I

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)C=NC3=CC4=C(C=C3)OC(=N4)C5=CC(=CC=C5)I

InChI

InChI=1S/C25H15IN2O4/c26-18-6-2-4-16(12-18)24-28-21-13-19(7-9-23(21)32-24)27-14-20-8-10-22(31-20)15-3-1-5-17(11-15)25(29)30/h1-14H,(H,29,30)