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

Systemtic Name: 3-[[1,3-bis(oxidanylidene)-2-pyridin-2-yl-isoindol-5-yl]carbonylamino]benzoic acid Openeye Name: 3-[[1,3-dioxo-2-(2-pyridyl)isoindoline-5-carbonyl]amino]benzoic acid CAS Name: 3-[[[1,3-dioxo-2-(2-pyridinyl)-5-isoindolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(1,3-dioxo-2-pyridin-2-ylisoindole-5-carbonyl)amino]benzoic acid Traditional Name: 3-[[1,3-diketo-2-(2-pyridyl)isoindoline-5-carbonyl]amino]benzoic acid Formula: C21H13N3O5 MolecularWeight: 387.34502

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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)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C21H13N3O5/c25-18(23-14-5-3-4-13(10-14)21(28)29)12-7-8-15-16(11-12)20(27)24(19(15)26)17-6-1-2-9-22-17/h1-11H,(H,23,25)(H,28,29)