[2-(1,3-benzoxazol-2-yl)-5-[(2-iodanylphenyl)carbonylamino]phenyl] 2-iodanylbenzoate

Systemtic Name: [2-(1,3-benzoxazol-2-yl)-5-[(2-iodanylphenyl)carbonylamino]phenyl] 2-iodanylbenzoate Openeye Name: [2-(1,3-benzoxazol-2-yl)-5-[(2-iodobenzoyl)amino]phenyl] 2-iodobenzoate CAS Name: 2-iodobenzoic acid [2-(1,3-benzoxazol-2-yl)-5-[[(2-iodophenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [2-(1,3-benzoxazol-2-yl)-5-[(2-iodobenzoyl)amino]phenyl] 2-iodobenzoate Traditional Name: 2-iodobenzoic acid [2-(1,3-benzoxazol-2-yl)-5-[(2-iodobenzoyl)amino]phenyl] ester Formula: C27H16I2N2O4 MolecularWeight: 686.23588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC(=C(C=C2)C3=NC4=CC=CC=C4O3)OC(=O)C5=CC=CC=C5I)I

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC(=C(C=C2)C3=NC4=CC=CC=C4O3)OC(=O)C5=CC=CC=C5I)I

InChI

InChI=1S/C27H16I2N2O4/c28-20-9-3-1-7-17(20)25(32)30-16-13-14-19(26-31-22-11-5-6-12-23(22)34-26)24(15-16)35-27(33)18-8-2-4-10-21(18)29/h1-15H,(H,30,32)