2-[[3-(2-pyridin-2-ylethynyl)-2H-indazol-6-yl]amino]benzoic acid

Systemtic Name: 2-[[3-(2-pyridin-2-ylethynyl)-2H-indazol-6-yl]amino]benzoic acid Openeye Name: 2-[[3-[2-(2-pyridyl)ethynyl]-2H-indazol-6-yl]amino]benzoic acid CAS Name: 2-[[3-[2-(2-pyridinyl)ethynyl]-2H-indazol-6-yl]amino]benzoic acid IUPAC Name: 2-[[3-(2-pyridin-2-ylethynyl)-2H-indazol-6-yl]amino]benzoic acid Traditional Name: 2-[[3-[2-(2-pyridyl)ethynyl]-2H-indazol-6-yl]amino]benzoic acid Formula: C21H14N4O2 MolecularWeight: 354.36146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC2=CC3=NNC(=C3C=C2)C#CC4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC2=CC3=NNC(=C3C=C2)C#CC4=CC=CC=N4

InChI

InChI=1S/C21H14N4O2/c26-21(27)17-6-1-2-7-18(17)23-15-8-10-16-19(24-25-20(16)13-15)11-9-14-5-3-4-12-22-14/h1-8,10,12-13,23H,(H,24,25)(H,26,27)