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

Systemtic Name: (2,6-dimethylphenyl) 6-methyl-4-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate Openeye Name: (2,6-dimethylphenyl) 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate CAS Name: 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridazinecarboxylic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 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 (2,6-dimethylphenyl) ester Formula: C21H17F3N2O3 MolecularWeight: 402.36649

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17F3N2O3/c1-12-6-4-7-13(2)19(12)29-20(28)18-17(27)10-14(3)26(25-18)16-9-5-8-15(11-16)21(22,23)24/h4-11H,1-3H3