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

Systemtic Name: 6-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-3-oxidanylidene-pyridazine-4-carboxylic acid Openeye Name: 6-(4-fluoro-3-methyl-phenyl)-2-isobutyl-3-oxo-pyridazine-4-carboxylic acid CAS Name: 6-(4-fluoro-3-methylphenyl)-2-(2-methylpropyl)-3-oxo-4-pyridazinecarboxylic acid IUPAC Name: 6-(4-fluoro-3-methylphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carboxylic acid Traditional Name: 6-(4-fluoro-3-methyl-phenyl)-2-isobutyl-3-keto-pyridazine-4-carboxylic acid Formula: C16H17FN2O3 MolecularWeight: 304.316183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17FN2O3/c1-9(2)8-19-15(20)12(16(21)22)7-14(18-19)11-4-5-13(17)10(3)6-11/h4-7,9H,8H2,1-3H3,(H,21,22)