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

Systemtic Name: [(1R)-1-cyanoethyl] 6-methyl-4-oxidanylidene-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxylate Openeye Name: [(1R)-1-cyanoethyl] 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxylate CAS Name: 6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]-3-pyridazinecarboxylic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 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 [(1R)-1-cyanoethyl] ester Formula: C16H12F3N3O3 MolecularWeight: 351.27999

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2C(F)(F)F)C(=O)OC(C)C#N

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2C(F)(F)F)C(=O)O[C@H](C)C#N

InChI

InChI=1S/C16H12F3N3O3/c1-9-7-13(23)14(15(24)25-10(2)8-20)21-22(9)12-6-4-3-5-11(12)16(17,18)19/h3-7,10H,1-2H3/t10-/m1/s1