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

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate CAS Name: 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate Traditional Name: 6-keto-4,5-dihydro-1H-pyridazine-3-carboxylic acid [3-(trifluoromethyl)benzyl] ester Formula: C13H11F3N2O3 MolecularWeight: 300.23325

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NN=C1C(=O)OCC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

C1CC(=O)NN=C1C(=O)OCC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C13H11F3N2O3/c14-13(15,16)9-3-1-2-8(6-9)7-21-12(20)10-4-5-11(19)18-17-10/h1-3,6H,4-5,7H2,(H,18,19)