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

Systemtic Name: 3-[[3-(5-bromanyl-1-oxidanidyl-pyridin-1-ium-3-yl)oxy-4-chloranyl-2-fluoranyl-phenyl]methyl]-5-methyl-1H-pyridazin-6-one Openeye Name: 3-[[3-(5-bromo-1-oxido-pyridin-1-ium-3-yl)oxy-4-chloro-2-fluoro-phenyl]methyl]-5-methyl-1H-pyridazin-6-one CAS Name: 3-[[3-[(5-bromo-1-oxido-3-pyridin-1-iumyl)oxy]-4-chloro-2-fluorophenyl]methyl]-5-methyl-1H-pyridazin-6-one IUPAC Name: 3-[[3-(5-bromo-1-oxidopyridin-1-ium-3-yl)oxy-4-chloro-2-fluorophenyl]methyl]-5-methyl-1H-pyridazin-6-one Traditional Name: 3-[3-(5-bromo-1-oxido-pyridin-1-ium-3-yl)oxy-4-chloro-2-fluoro-benzyl]-5-methyl-1H-pyridazin-6-one Formula: C17H12BrClFN3O3 MolecularWeight: 440.650883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrClFN3O3/c1-9-4-12(21-22-17(9)24)5-10-2-3-14(19)16(15(10)20)26-13-6-11(18)7-23(25)8-13/h2-4,6-8H,5H2,1H3,(H,22,24)