2-[3-(2-chlorophenyl)propyl]-6-(3-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-pyridazine-4-carboxylic acid

Systemtic Name: 2-[3-(2-chlorophenyl)propyl]-6-(3-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-pyridazine-4-carboxylic acid Openeye Name: 2-[3-(2-chlorophenyl)propyl]-6-(3-fluoro-4-methoxy-phenyl)-3-oxo-pyridazine-4-carboxylic acid CAS Name: 2-[3-(2-chlorophenyl)propyl]-6-(3-fluoro-4-methoxyphenyl)-3-oxo-4-pyridazinecarboxylic acid IUPAC Name: 2-[3-(2-chlorophenyl)propyl]-6-(3-fluoro-4-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid Traditional Name: 2-[3-(2-chlorophenyl)propyl]-6-(3-fluoro-4-methoxy-phenyl)-3-keto-pyridazine-4-carboxylic acid Formula: C21H18ClFN2O4 MolecularWeight: 416.830023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C(=C2)C(=O)O)CCCC3=CC=CC=C3Cl)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C(=C2)C(=O)O)CCCC3=CC=CC=C3Cl)F

InChI

InChI=1S/C21H18ClFN2O4/c1-29-19-9-8-14(11-17(19)23)18-12-15(21(27)28)20(26)25(24-18)10-4-6-13-5-2-3-7-16(13)22/h2-3,5,7-9,11-12H,4,6,10H2,1H3,(H,27,28)