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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)OCC3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)OCC3=CC=CC=C3C#N

InChI

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