methyl 5-methoxy-6-oxidanylidene-1-phenyl-3-(trifluoromethyl)pyridazine-4-carboxylate

Systemtic Name: methyl 5-methoxy-6-oxidanylidene-1-phenyl-3-(trifluoromethyl)pyridazine-4-carboxylate Openeye Name: methyl 5-methoxy-6-oxo-1-phenyl-3-(trifluoromethyl)pyridazine-4-carboxylate CAS Name: 5-methoxy-6-oxo-1-phenyl-3-(trifluoromethyl)-4-pyridazinecarboxylic acid methyl ester IUPAC Name: methyl 5-methoxy-6-oxo-1-phenyl-3-(trifluoromethyl)pyridazine-4-carboxylate Traditional Name: 6-keto-5-methoxy-1-phenyl-3-(trifluoromethyl)pyridazine-4-carboxylic acid methyl ester Formula: C14H11F3N2O4 MolecularWeight: 328.24335

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=NN(C1=O)C2=CC=CC=C2)C(F)(F)F)C(=O)OC

Isomeric SMILES

COC1=C(C(=NN(C1=O)C2=CC=CC=C2)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C14H11F3N2O4/c1-22-10-9(13(21)23-2)11(14(15,16)17)18-19(12(10)20)8-6-4-3-5-7-8/h3-7H,1-2H3