6-(4-fluoranyl-3-methyl-phenyl)-2-oxidanidyl-3-[(E)-3-phenylprop-2-enyl]pyridazin-2-ium-4-carboxylic acid

Systemtic Name: 6-(4-fluoranyl-3-methyl-phenyl)-2-oxidanidyl-3-[(E)-3-phenylprop-2-enyl]pyridazin-2-ium-4-carboxylic acid Openeye Name: 3-[(E)-cinnamyl]-6-(4-fluoro-3-methyl-phenyl)-2-oxido-pyridazin-2-ium-4-carboxylic acid CAS Name: 6-(4-fluoro-3-methylphenyl)-2-oxido-3-[(E)-3-phenylprop-2-enyl]-4-pyridazin-2-iumcarboxylic acid IUPAC Name: 6-(4-fluoro-3-methylphenyl)-2-oxido-3-[(E)-3-phenylprop-2-enyl]pyridazin-2-ium-4-carboxylic acid Traditional Name: 3-[(E)-cinnamyl]-6-(4-fluoro-3-methyl-phenyl)-2-oxido-pyridazin-2-ium-4-carboxylic acid Formula: C21H17FN2O3 MolecularWeight: 364.369683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=N[N+](=C(C(=C2)C(=O)O)CC=CC3=CC=CC=C3)[O-])F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=N[N+](=C(C(=C2)C(=O)O)C/C=C/C3=CC=CC=C3)[O-])F

InChI

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