[2-oxidanylidene-2-[(4-phenylmethoxyphenyl)amino]ethyl] 3-azanyl-2,4,6-tris(iodanyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-phenylmethoxyphenyl)amino]ethyl] 3-azanyl-2,4,6-tris(iodanyl)benzoate Openeye Name: [2-(4-benzyloxyanilino)-2-oxo-ethyl] 3-amino-2,4,6-triiodo-benzoate CAS Name: 3-amino-2,4,6-triiodobenzoic acid [2-oxo-2-(4-phenylmethoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3-amino-2,4,6-triiodobenzoate Traditional Name: 3-amino-2,4,6-triiodo-benzoic acid [2-(4-benzoxyanilino)-2-keto-ethyl] ester Formula: C22H17I3N2O4 MolecularWeight: 754.09479

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)COC(=O)C3=C(C(=C(C=C3I)I)N)I

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)COC(=O)C3=C(C(=C(C=C3I)I)N)I

InChI

InChI=1S/C22H17I3N2O4/c23-16-10-17(24)21(26)20(25)19(16)22(29)31-12-18(28)27-14-6-8-15(9-7-14)30-11-13-4-2-1-3-5-13/h1-10H,11-12,26H2,(H,27,28)