ethyl 1-(2-methylphenyl)-6-oxidanylidene-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridazine-3-carboxylate

Systemtic Name: ethyl 1-(2-methylphenyl)-6-oxidanylidene-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridazine-3-carboxylate Openeye Name: ethyl 1-(o-tolyl)-6-oxo-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridazine-3-carboxylate CAS Name: 1-(2-methylphenyl)-6-oxo-4-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-methylphenyl)-6-oxo-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridazine-3-carboxylate Traditional Name: 6-keto-1-(o-tolyl)-4-[4-(trifluoromethyl)benzyl]oxy-pyridazine-3-carboxylic acid ethyl ester Formula: C22H19F3N2O4 MolecularWeight: 432.39247

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1OCC2=CC=C(C=C2)C(F)(F)F)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1OCC2=CC=C(C=C2)C(F)(F)F)C3=CC=CC=C3C

InChI

InChI=1S/C22H19F3N2O4/c1-3-30-21(29)20-18(31-13-15-8-10-16(11-9-15)22(23,24)25)12-19(28)27(26-20)17-7-5-4-6-14(17)2/h4-12H,3,13H2,1-2H3