2-iodanyl-5-[[2-(2-methoxyphenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoic acid

Systemtic Name: 2-iodanyl-5-[[2-(2-methoxyphenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoic acid Openeye Name: 2-iodo-5-[[2-(2-methoxyphenyl)-1,3-dioxo-isoindoline-5-carbonyl]amino]benzoic acid CAS Name: 2-iodo-5-[[[2-(2-methoxyphenyl)-1,3-dioxo-5-isoindolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-iodo-5-[[2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid Traditional Name: 5-[[1,3-diketo-2-(2-methoxyphenyl)isoindoline-5-carbonyl]amino]-2-iodo-benzoic acid Formula: C23H15IN2O6 MolecularWeight: 542.27947

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC(=C(C=C4)I)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC(=C(C=C4)I)C(=O)O

InChI

InChI=1S/C23H15IN2O6/c1-32-19-5-3-2-4-18(19)26-21(28)14-8-6-12(10-15(14)22(26)29)20(27)25-13-7-9-17(24)16(11-13)23(30)31/h2-11H,1H3,(H,25,27)(H,30,31)