8-fluoranyl-4-oxidanylidene-1-[(6-pyridin-3-ylpyridin-3-yl)methyl]quinoline-3-carboxylic acid

Systemtic Name: 8-fluoranyl-4-oxidanylidene-1-[(6-pyridin-3-ylpyridin-3-yl)methyl]quinoline-3-carboxylic acid Openeye Name: 8-fluoro-4-oxo-1-[[6-(3-pyridyl)-3-pyridyl]methyl]quinoline-3-carboxylic acid CAS Name: 8-fluoro-4-oxo-1-[[6-(3-pyridinyl)-3-pyridinyl]methyl]-3-quinolinecarboxylic acid IUPAC Name: 8-fluoro-4-oxo-1-[(6-pyridin-3-ylpyridin-3-yl)methyl]quinoline-3-carboxylic acid Traditional Name: 8-fluoro-4-keto-1-[[6-(3-pyridyl)-3-pyridyl]methyl]quinoline-3-carboxylic acid Formula: C21H14FN3O3 MolecularWeight: 375.352563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)F)N(C=C(C2=O)C(=O)O)CC3=CN=C(C=C3)C4=CN=CC=C4

Isomeric SMILES

C1=CC2=C(C(=C1)F)N(C=C(C2=O)C(=O)O)CC3=CN=C(C=C3)C4=CN=CC=C4

InChI

InChI=1S/C21H14FN3O3/c22-17-5-1-4-15-19(17)25(12-16(20(15)26)21(27)28)11-13-6-7-18(24-9-13)14-3-2-8-23-10-14/h1-10,12H,11H2,(H,27,28)