methyl 4-[[6-oxidanylidene-3-phenyl-5-(trifluoromethyl)pyridazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[6-oxidanylidene-3-phenyl-5-(trifluoromethyl)pyridazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[6-oxo-3-phenyl-5-(trifluoromethyl)pyridazin-1-yl]methyl]benzoate CAS Name: 4-[[6-oxo-3-phenyl-5-(trifluoromethyl)-1-pyridazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-oxo-3-phenyl-5-(trifluoromethyl)pyridazin-1-yl]methyl]benzoate Traditional Name: 4-[[6-keto-3-phenyl-5-(trifluoromethyl)pyridazin-1-yl]methyl]benzoic acid methyl ester Formula: C20H15F3N2O3 MolecularWeight: 388.33991

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C(=O)C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C(=O)C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H15F3N2O3/c1-28-19(27)15-9-7-13(8-10-15)12-25-18(26)16(20(21,22)23)11-17(24-25)14-5-3-2-4-6-14/h2-11H,12H2,1H3