4-[1,3-bis(oxidanylidene)-2-pyridin-2-yl-isoindol-5-yl]carbonylbenzoic acid

Systemtic Name: 4-[1,3-bis(oxidanylidene)-2-pyridin-2-yl-isoindol-5-yl]carbonylbenzoic acid Openeye Name: 4-[1,3-dioxo-2-(2-pyridyl)isoindoline-5-carbonyl]benzoic acid CAS Name: 4-[[1,3-dioxo-2-(2-pyridinyl)-5-isoindolyl]-oxomethyl]benzoic acid IUPAC Name: 4-(1,3-dioxo-2-pyridin-2-ylisoindole-5-carbonyl)benzoic acid Traditional Name: 4-[1,3-diketo-2-(2-pyridyl)isoindoline-5-carbonyl]benzoic acid Formula: C21H12N2O5 MolecularWeight: 372.33038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC=C(C=C4)C(=O)O

InChI

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