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

Systemtic Name: methyl 6-oxidanylidene-3-[4-(trifluoromethyl)phenyl]-1H-pyridazine-5-carboxylate Openeye Name: methyl 6-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridazine-5-carboxylate CAS Name: 6-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridazine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridazine-5-carboxylate Traditional Name: 6-keto-3-[4-(trifluoromethyl)phenyl]-1H-pyridazine-5-carboxylic acid methyl ester Formula: C13H9F3N2O3 MolecularWeight: 298.21737

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NNC1=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=NNC1=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C13H9F3N2O3/c1-21-12(20)9-6-10(17-18-11(9)19)7-2-4-8(5-3-7)13(14,15)16/h2-6H,1H3,(H,18,19)