ethyl 5-cyano-4-methyl-6-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate

Systemtic Name: ethyl 5-cyano-4-methyl-6-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate Openeye Name: ethyl 5-cyano-4-methyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate CAS Name: 5-cyano-4-methyl-6-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-4-methyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate Traditional Name: 5-cyano-6-keto-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid ethyl ester Formula: C16H12F3N3O3 MolecularWeight: 351.27999

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C(=C1C)C#N)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C(=C1C)C#N)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C16H12F3N3O3/c1-3-25-15(24)13-9(2)12(8-20)14(23)22(21-13)11-6-4-5-10(7-11)16(17,18)19/h4-7H,3H2,1-2H3