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

Systemtic Name: (4-cyanophenyl)methyl 6-methyl-4-oxidanylidene-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxylate Openeye Name: (4-cyanophenyl)methyl 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-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)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-cyanobenzyl) ester Formula: C21H14F3N3O3 MolecularWeight: 413.34937

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2C(F)(F)F)C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2C(F)(F)F)C(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H14F3N3O3/c1-13-10-18(28)19(20(29)30-12-15-8-6-14(11-25)7-9-15)26-27(13)17-5-3-2-4-16(17)21(22,23)24/h2-10H,12H2,1H3