methyl 6-(3-fluoranyl-4-methyl-phenyl)-2-(2-methylpropyl)-3-oxidanylidene-pyridazine-4-carboxylate

Systemtic Name: methyl 6-(3-fluoranyl-4-methyl-phenyl)-2-(2-methylpropyl)-3-oxidanylidene-pyridazine-4-carboxylate Openeye Name: methyl 6-(3-fluoro-4-methyl-phenyl)-2-isobutyl-3-oxo-pyridazine-4-carboxylate CAS Name: 6-(3-fluoro-4-methylphenyl)-2-(2-methylpropyl)-3-oxo-4-pyridazinecarboxylic acid methyl ester IUPAC Name: methyl 6-(3-fluoro-4-methylphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate Traditional Name: 6-(3-fluoro-4-methyl-phenyl)-2-isobutyl-3-keto-pyridazine-4-carboxylic acid methyl ester Formula: C17H19FN2O3 MolecularWeight: 318.342763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19FN2O3/c1-10(2)9-20-16(21)13(17(22)23-4)8-15(19-20)12-6-5-11(3)14(18)7-12/h5-8,10H,9H2,1-4H3