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

Systemtic Name: [(E)-3-phenylprop-2-enyl] 6-methyl-4-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate Openeye Name: [(E)-cinnamyl] 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate CAS Name: 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridazinecarboxylic acid [(E)-3-phenylprop-2-enyl] ester IUPAC Name: [(E)-3-phenylprop-2-enyl] 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 [(E)-cinnamyl] ester Formula: C22H17F3N2O3 MolecularWeight: 414.37719

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)OCC=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)OC/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H17F3N2O3/c1-15-13-19(28)20(21(29)30-12-6-9-16-7-3-2-4-8-16)26-27(15)18-11-5-10-17(14-18)22(23,24)25/h2-11,13-14H,12H2,1H3/b9-6+