3-[1,3-bis(oxidanylidene)-2-pyridin-3-yl-isoindol-5-yl]carbonylbenzoic acid

Systemtic Name: 3-[1,3-bis(oxidanylidene)-2-pyridin-3-yl-isoindol-5-yl]carbonylbenzoic acid Openeye Name: 3-[1,3-dioxo-2-(3-pyridyl)isoindoline-5-carbonyl]benzoic acid CAS Name: 3-[[1,3-dioxo-2-(3-pyridinyl)-5-isoindolyl]-oxomethyl]benzoic acid IUPAC Name: 3-(1,3-dioxo-2-pyridin-3-ylisoindole-5-carbonyl)benzoic acid Traditional Name: 3-[1,3-diketo-2-(3-pyridyl)isoindoline-5-carbonyl]benzoic acid Formula: C21H12N2O5 MolecularWeight: 372.33038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CN=CC=C4

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CN=CC=C4

InChI

InChI=1S/C21H12N2O5/c24-18(12-3-1-4-14(9-12)21(27)28)13-6-7-16-17(10-13)20(26)23(19(16)25)15-5-2-8-22-11-15/h1-11H,(H,27,28)