1-[[5-(azaniumylmethyl)-2-fluoranyl-phenyl]methyl]-6-oxidanylidene-pyridazin-3-olate

Systemtic Name: 1-[[5-(azaniumylmethyl)-2-fluoranyl-phenyl]methyl]-6-oxidanylidene-pyridazin-3-olate Openeye Name: 1-[[5-(azaniumylmethyl)-2-fluoro-phenyl]methyl]-6-oxo-pyridazin-3-olate CAS Name: 1-[[5-(ammoniomethyl)-2-fluorophenyl]methyl]-6-oxo-3-pyridazinolate IUPAC Name: 1-[[5-(azaniumylmethyl)-2-fluorophenyl]methyl]-6-oxopyridazin-3-olate Traditional Name: 1-[5-(ammoniomethyl)-2-fluoro-benzyl]-6-keto-pyridazin-3-olate Formula: C12H12FN3O2 MolecularWeight: 249.240983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C[NH3+])CN2C(=O)C=CC(=N2)[O-])F

Isomeric SMILES

C1=CC(=C(C=C1C[NH3+])CN2C(=O)C=CC(=N2)[O-])F

InChI

InChI=1S/C12H12FN3O2/c13-10-2-1-8(6-14)5-9(10)7-16-12(18)4-3-11(17)15-16/h1-5H,6-7,14H2,(H,15,17)