4-[3-(3,4-dimethoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(4-fluoranyl-3-nitro-phenyl)butanamide

Systemtic Name: 4-[3-(3,4-dimethoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(4-fluoranyl-3-nitro-phenyl)butanamide Openeye Name: 4-[3-(3,4-dimethoxyphenyl)-6-oxo-pyridazin-1-yl]-N-(4-fluoro-3-nitro-phenyl)butanamide CAS Name: 4-[3-(3,4-dimethoxyphenyl)-6-oxo-1-pyridazinyl]-N-(4-fluoro-3-nitrophenyl)butanamide IUPAC Name: 4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-3-nitrophenyl)butanamide Traditional Name: 4-[3-(3,4-dimethoxyphenyl)-6-keto-pyridazin-1-yl]-N-(4-fluoro-3-nitro-phenyl)butyramide Formula: C22H21FN4O6 MolecularWeight: 456.423743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])OC

InChI

InChI=1S/C22H21FN4O6/c1-32-19-9-5-14(12-20(19)33-2)17-8-10-22(29)26(25-17)11-3-4-21(28)24-15-6-7-16(23)18(13-15)27(30)31/h5-10,12-13H,3-4,11H2,1-2H3,(H,24,28)