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

Systemtic Name: (4-methylphenyl)methyl 6-methyl-4-oxidanylidene-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxylate Openeye Name: p-tolylmethyl 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxylate CAS Name: 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]-3-pyridazinecarboxylic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxylate Traditional Name: 4-keto-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid (4-methylbenzyl) ester Formula: C21H17F3N2O3 MolecularWeight: 402.36649

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)C2=NN(C(=CC2=O)C)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)C2=NN(C(=CC2=O)C)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H17F3N2O3/c1-13-7-9-15(10-8-13)12-29-20(28)19-18(27)11-14(2)26(25-19)17-6-4-3-5-16(17)21(22,23)24/h3-11H,12H2,1-2H3