6-(4-fluoranyl-3-methyl-phenyl)-3-oxidanylidene-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxylic acid

Systemtic Name: 6-(4-fluoranyl-3-methyl-phenyl)-3-oxidanylidene-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxylic acid Openeye Name: 2-[(E)-cinnamyl]-6-(4-fluoro-3-methyl-phenyl)-3-oxo-pyridazine-4-carboxylic acid CAS Name: 6-(4-fluoro-3-methylphenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]-4-pyridazinecarboxylic acid IUPAC Name: 6-(4-fluoro-3-methylphenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxylic acid Traditional Name: 2-[(E)-cinnamyl]-6-(4-fluoro-3-methyl-phenyl)-3-keto-pyridazine-4-carboxylic acid Formula: C21H17FN2O3 MolecularWeight: 364.369683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN(C(=O)C(=C2)C(=O)O)CC=CC3=CC=CC=C3)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C(=O)C(=C2)C(=O)O)C/C=C/C3=CC=CC=C3)F

InChI

InChI=1S/C21H17FN2O3/c1-14-12-16(9-10-18(14)22)19-13-17(21(26)27)20(25)24(23-19)11-5-8-15-6-3-2-4-7-15/h2-10,12-13H,11H2,1H3,(H,26,27)/b8-5+