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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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