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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C=CC1=O)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

COC(=O)C1=NN(C=CC1=O)C2=CC=CC(=C2)C(F)(F)F

InChI

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