tert-butyl 2-[6-oxidanylidene-3-phenyl-5-(trifluoromethyl)pyridazin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[6-oxidanylidene-3-phenyl-5-(trifluoromethyl)pyridazin-1-yl]ethanoate Openeye Name: tert-butyl 2-[6-oxo-3-phenyl-5-(trifluoromethyl)pyridazin-1-yl]acetate CAS Name: 2-[6-oxo-3-phenyl-5-(trifluoromethyl)-1-pyridazinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-oxo-3-phenyl-5-(trifluoromethyl)pyridazin-1-yl]acetate Traditional Name: 2-[6-keto-3-phenyl-5-(trifluoromethyl)pyridazin-1-yl]acetic acid tert-butyl ester Formula: C17H17F3N2O3 MolecularWeight: 354.32369

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C(=O)C(=CC(=N1)C2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)CN1C(=O)C(=CC(=N1)C2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C17H17F3N2O3/c1-16(2,3)25-14(23)10-22-15(24)12(17(18,19)20)9-13(21-22)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3