1-[[4-(benzotriazol-1-yl)phenyl]methyl]-5-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-[[4-(benzotriazol-1-yl)phenyl]methyl]-5-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-[[4-(benzotriazol-1-yl)phenyl]methyl]-5-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-[[4-(1-benzotriazolyl)phenyl]methyl]-5-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-[[4-(benzotriazol-1-yl)phenyl]methyl]-5-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-[4-(benzotriazol-1-yl)benzyl]-5-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C23H15FN4O3 MolecularWeight: 414.388603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C3=CC=C(C=C3)CN4C=C(C(=O)C5=C4C=CC=C5F)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C3=CC=C(C=C3)CN4C=C(C(=O)C5=C4C=CC=C5F)C(=O)O

InChI

InChI=1S/C23H15FN4O3/c24-17-4-3-7-20-21(17)22(29)16(23(30)31)13-27(20)12-14-8-10-15(11-9-14)28-19-6-2-1-5-18(19)25-26-28/h1-11,13H,12H2,(H,30,31)