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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC=N4

InChI

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