2-[(5-ethanoyl-2-ethyl-3-oxidanylidene-6-phenyl-pyridazin-4-yl)amino]-4-fluoranyl-benzoic acid

Systemtic Name: 2-[(5-ethanoyl-2-ethyl-3-oxidanylidene-6-phenyl-pyridazin-4-yl)amino]-4-fluoranyl-benzoic acid Openeye Name: 2-[(5-acetyl-2-ethyl-3-oxo-6-phenyl-pyridazin-4-yl)amino]-4-fluoro-benzoic acid CAS Name: 2-[(5-acetyl-2-ethyl-3-oxo-6-phenyl-4-pyridazinyl)amino]-4-fluorobenzoic acid IUPAC Name: 2-[(5-acetyl-2-ethyl-3-oxo-6-phenylpyridazin-4-yl)amino]-4-fluorobenzoic acid Traditional Name: 2-[(5-acetyl-2-ethyl-3-keto-6-phenyl-pyridazin-4-yl)amino]-4-fluoro-benzoic acid Formula: C21H18FN3O4 MolecularWeight: 395.383723

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C)NC3=C(C=CC(=C3)F)C(=O)O

Isomeric SMILES

CCN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C)NC3=C(C=CC(=C3)F)C(=O)O

InChI

InChI=1S/C21H18FN3O4/c1-3-25-20(27)19(23-16-11-14(22)9-10-15(16)21(28)29)17(12(2)26)18(24-25)13-7-5-4-6-8-13/h4-11,23H,3H2,1-2H3,(H,28,29)