N-(2-cyano-4-nitro-phenyl)-4-[3-(4-fluorophenyl)-6-oxidanylidene-pyridazin-1-yl]butanamide

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-4-[3-(4-fluorophenyl)-6-oxidanylidene-pyridazin-1-yl]butanamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-4-[3-(4-fluorophenyl)-6-oxo-pyridazin-1-yl]butanamide CAS Name: N-(2-cyano-4-nitrophenyl)-4-[3-(4-fluorophenyl)-6-oxo-1-pyridazinyl]butanamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-4-[3-(4-fluorophenyl)-6-keto-pyridazin-1-yl]butyramide Formula: C21H16FN5O4 MolecularWeight: 421.381243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C(=O)C=C2)CCCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)F

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C(=O)C=C2)CCCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)F

InChI

InChI=1S/C21H16FN5O4/c22-16-5-3-14(4-6-16)19-9-10-21(29)26(25-19)11-1-2-20(28)24-18-8-7-17(27(30)31)12-15(18)13-23/h3-10,12H,1-2,11H2,(H,24,28)