[4-[[3-(1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenyl] 2-iodanylbenzoate

Systemtic Name: [4-[[3-(1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenyl] 2-iodanylbenzoate Openeye Name: [4-[[3-(1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenyl] 2-iodobenzoate CAS Name: 2-iodobenzoic acid [4-[[3-(1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenyl] ester IUPAC Name: [4-[[3-(1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenyl] 2-iodobenzoate Traditional Name: 2-iodobenzoic acid [4-[[3-(1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenyl] ester Formula: C27H17IN2O3 MolecularWeight: 544.33995

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)C=NC3=CC=CC(=C3)C4=NC5=CC=CC=C5O4)I

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)C=NC3=CC=CC(=C3)C4=NC5=CC=CC=C5O4)I

InChI

InChI=1S/C27H17IN2O3/c28-23-9-2-1-8-22(23)27(31)32-21-14-12-18(13-15-21)17-29-20-7-5-6-19(16-20)26-30-24-10-3-4-11-25(24)33-26/h1-17H