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

Systemtic Name: [2-oxidanylidene-2-[(2-phenoxyphenyl)amino]ethyl] 3-azanyl-2,4,6-tris(iodanyl)benzoate Openeye Name: [2-oxo-2-(2-phenoxyanilino)ethyl] 3-amino-2,4,6-triiodo-benzoate CAS Name: 3-amino-2,4,6-triiodobenzoic acid [2-oxo-2-(2-phenoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenoxyanilino)ethyl] 3-amino-2,4,6-triiodobenzoate Traditional Name: 3-amino-2,4,6-triiodo-benzoic acid [2-keto-2-(2-phenoxyanilino)ethyl] ester Formula: C21H15I3N2O4 MolecularWeight: 740.06821

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)COC(=O)C3=C(C(=C(C=C3I)I)N)I

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)COC(=O)C3=C(C(=C(C=C3I)I)N)I

InChI

InChI=1S/C21H15I3N2O4/c22-13-10-14(23)20(25)19(24)18(13)21(28)29-11-17(27)26-15-8-4-5-9-16(15)30-12-6-2-1-3-7-12/h1-10H,11,25H2,(H,26,27)