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

Systemtic Name: [4-[[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-2-methoxy-phenyl] 4-chloranylbenzoate Openeye Name: [4-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-2-methoxy-phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [4-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-2-methoxyphenyl] ester IUPAC Name: [4-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-2-methoxyphenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [4-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-2-methoxy-phenyl] ester Formula: C28H18ClIN2O4 MolecularWeight: 608.81099

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)I)OC(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C=NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)I)OC(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H18ClIN2O4/c1-34-26-13-17(5-11-25(26)36-28(33)18-6-8-20(29)9-7-18)16-31-22-10-12-24-23(15-22)32-27(35-24)19-3-2-4-21(30)14-19/h2-16H,1H3