3-[[3,6-bis(oxidanylidene)-1H-pyridazin-2-yl]methyl]-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[[3,6-bis(oxidanylidene)-1H-pyridazin-2-yl]methyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]-4-fluoro-benzonitrile CAS Name: 3-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]-4-fluorobenzonitrile IUPAC Name: 3-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]-4-fluorobenzonitrile Traditional Name: 3-[(3,6-diketo-1H-pyridazin-2-yl)methyl]-4-fluoro-benzonitrile Formula: C12H8FN3O2 MolecularWeight: 245.209223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)CN2C(=O)C=CC(=O)N2)F

Isomeric SMILES

C1=CC(=C(C=C1C#N)CN2C(=O)C=CC(=O)N2)F

InChI

InChI=1S/C12H8FN3O2/c13-10-2-1-8(6-14)5-9(10)7-16-12(18)4-3-11(17)15-16/h1-5H,7H2,(H,15,17)