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

Systemtic Name: methyl 6-(4-fluoranyl-3-methyl-phenyl)-3-oxidanylidene-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxylate Openeye Name: methyl 2-[(E)-cinnamyl]-6-(4-fluoro-3-methyl-phenyl)-3-oxo-pyridazine-4-carboxylate CAS Name: 6-(4-fluoro-3-methylphenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]-4-pyridazinecarboxylic acid methyl ester IUPAC Name: methyl 6-(4-fluoro-3-methylphenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxylate Traditional Name: 2-[(E)-cinnamyl]-6-(4-fluoro-3-methyl-phenyl)-3-keto-pyridazine-4-carboxylic acid methyl ester Formula: C22H19FN2O3 MolecularWeight: 378.396263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19FN2O3/c1-15-13-17(10-11-19(15)23)20-14-18(22(27)28-2)21(26)25(24-20)12-6-9-16-7-4-3-5-8-16/h3-11,13-14H,12H2,1-2H3/b9-6+