[3-(trifluoromethyl)phenyl]methyl 6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxylate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxylate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 1-benzyl-6-oxo-pyridazine-3-carboxylate CAS Name: 6-oxo-1-(phenylmethyl)-3-pyridazinecarboxylic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 1-benzyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-benzyl-6-keto-pyridazine-3-carboxylic acid [3-(trifluoromethyl)benzyl] ester Formula: C20H15F3N2O3 MolecularWeight: 388.33991

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C=CC(=N2)C(=O)OCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C=CC(=N2)C(=O)OCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H15F3N2O3/c21-20(22,23)16-8-4-7-15(11-16)13-28-19(27)17-9-10-18(26)25(24-17)12-14-5-2-1-3-6-14/h1-11H,12-13H2