4-[[1,3-bis(oxidanylidene)-2-(4-phenoxyphenyl)isoindol-5-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[1,3-bis(oxidanylidene)-2-(4-phenoxyphenyl)isoindol-5-yl]carbonylamino]benzoic acid Openeye Name: 4-[[1,3-dioxo-2-(4-phenoxyphenyl)isoindoline-5-carbonyl]amino]benzoic acid CAS Name: 4-[[[1,3-dioxo-2-(4-phenoxyphenyl)-5-isoindolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[1,3-dioxo-2-(4-phenoxyphenyl)isoindole-5-carbonyl]amino]benzoic acid Traditional Name: 4-[[1,3-diketo-2-(4-phenoxyphenyl)isoindoline-5-carbonyl]amino]benzoic acid Formula: C28H18N2O6 MolecularWeight: 478.45232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)NC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)NC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C28H18N2O6/c31-25(29-19-9-6-17(7-10-19)28(34)35)18-8-15-23-24(16-18)27(33)30(26(23)32)20-11-13-22(14-12-20)36-21-4-2-1-3-5-21/h1-16H,(H,29,31)(H,34,35)