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

Systemtic Name: 2-[[1,3-bis(oxidanylidene)-2-(pyridin-3-ylmethyl)isoindol-5-yl]carbonylamino]benzoic acid Openeye Name: 2-[[1,3-dioxo-2-(3-pyridylmethyl)isoindoline-5-carbonyl]amino]benzoic acid CAS Name: 2-[[[1,3-dioxo-2-(3-pyridinylmethyl)-5-isoindolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carbonyl]amino]benzoic acid Traditional Name: 2-[[1,3-diketo-2-(3-pyridylmethyl)isoindoline-5-carbonyl]amino]benzoic acid Formula: C22H15N3O5 MolecularWeight: 401.3716

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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)CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CN=CC=C4

InChI

InChI=1S/C22H15N3O5/c26-19(24-18-6-2-1-5-16(18)22(29)30)14-7-8-15-17(10-14)21(28)25(20(15)27)12-13-4-3-9-23-11-13/h1-11H,12H2,(H,24,26)(H,29,30)