1-[[5-(6-azanylpyridin-3-yl)pyridin-2-yl]methyl]-8-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-[[5-(6-azanylpyridin-3-yl)pyridin-2-yl]methyl]-8-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-[[5-(6-amino-3-pyridyl)-2-pyridyl]methyl]-8-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-[[5-(6-amino-3-pyridinyl)-2-pyridinyl]methyl]-8-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-[[5-(6-aminopyridin-3-yl)pyridin-2-yl]methyl]-8-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-[[5-(6-amino-3-pyridyl)-2-pyridyl]methyl]-8-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H15FN4O3 MolecularWeight: 390.367203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15FN4O3/c22-17-3-1-2-15-19(17)26(11-16(20(15)27)21(28)29)10-14-6-4-12(8-24-14)13-5-7-18(23)25-9-13/h1-9,11H,10H2,(H2,23,25)(H,28,29)