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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=NC=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=NC=C4)C(=O)O

InChI

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