3-[[4-chloranyl-2-fluoranyl-3-(1-oxidanidylquinolin-1-ium-8-yl)oxy-phenyl]methyl]-5-methyl-1H-pyridazin-6-one

Systemtic Name: 3-[[4-chloranyl-2-fluoranyl-3-(1-oxidanidylquinolin-1-ium-8-yl)oxy-phenyl]methyl]-5-methyl-1H-pyridazin-6-one Openeye Name: 3-[[4-chloro-2-fluoro-3-(1-oxidoquinolin-1-ium-8-yl)oxy-phenyl]methyl]-5-methyl-1H-pyridazin-6-one CAS Name: 3-[[4-chloro-2-fluoro-3-[(1-oxido-8-quinolin-1-iumyl)oxy]phenyl]methyl]-5-methyl-1H-pyridazin-6-one IUPAC Name: 3-[[4-chloro-2-fluoro-3-(1-oxidoquinolin-1-ium-8-yl)oxyphenyl]methyl]-5-methyl-1H-pyridazin-6-one Traditional Name: 3-[4-chloro-2-fluoro-3-(1-oxidoquinolin-1-ium-8-yl)oxy-benzyl]-5-methyl-1H-pyridazin-6-one Formula: C21H15ClFN3O3 MolecularWeight: 411.813503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NNC1=O)CC2=C(C(=C(C=C2)Cl)OC3=CC=CC4=C3[N+](=CC=C4)[O-])F

Isomeric SMILES

CC1=CC(=NNC1=O)CC2=C(C(=C(C=C2)Cl)OC3=CC=CC4=C3[N+](=CC=C4)[O-])F

InChI

InChI=1S/C21H15ClFN3O3/c1-12-10-15(24-25-21(12)27)11-14-7-8-16(22)20(18(14)23)29-17-6-2-4-13-5-3-9-26(28)19(13)17/h2-10H,11H2,1H3,(H,25,27)