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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2C(F)(F)F)C(=O)OCC=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2C(F)(F)F)C(=O)OC/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H17F3N2O3/c1-15-14-19(28)20(21(29)30-13-7-10-16-8-3-2-4-9-16)26-27(15)18-12-6-5-11-17(18)22(23,24)25/h2-12,14H,13H2,1H3/b10-7+