2-(4-methylphenoxy)ethyl 6-methyl-4-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate

Systemtic Name: 2-(4-methylphenoxy)ethyl 6-methyl-4-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate Openeye Name: 2-(4-methylphenoxy)ethyl 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate CAS Name: 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridazinecarboxylic acid 2-(4-methylphenoxy)ethyl ester IUPAC Name: 2-(4-methylphenoxy)ethyl 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate Traditional Name: 4-keto-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid 2-(4-methylphenoxy)ethyl ester Formula: C22H19F3N2O4 MolecularWeight: 432.39247

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCOC(=O)C2=NN(C(=CC2=O)C)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)OCCOC(=O)C2=NN(C(=CC2=O)C)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H19F3N2O4/c1-14-6-8-18(9-7-14)30-10-11-31-21(29)20-19(28)12-15(2)27(26-20)17-5-3-4-16(13-17)22(23,24)25/h3-9,12-13H,10-11H2,1-2H3