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

Systemtic Name: 3-[[1,3-bis(oxidanylidene)-2-(4-phenyldiazenylphenyl)isoindol-5-yl]carbonylamino]benzoic acid Openeye Name: 3-[[1,3-dioxo-2-(4-phenylazophenyl)isoindoline-5-carbonyl]amino]benzoic acid CAS Name: 3-[[[1,3-dioxo-2-(4-phenyldiazenylphenyl)-5-isoindolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[1,3-dioxo-2-(4-phenyldiazenylphenyl)isoindole-5-carbonyl]amino]benzoic acid Traditional Name: 3-[[1,3-diketo-2-(4-phenylazophenyl)isoindoline-5-carbonyl]amino]benzoic acid Formula: C28H18N4O5 MolecularWeight: 490.46632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)NC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)NC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C28H18N4O5/c33-25(29-21-8-4-5-18(15-21)28(36)37)17-9-14-23-24(16-17)27(35)32(26(23)34)22-12-10-20(11-13-22)31-30-19-6-2-1-3-7-19/h1-16H,(H,29,33)(H,36,37)