(4E)-2-(4-fluorophenyl)-4-[(3-iodanyl-5-methoxy-4-propan-2-yloxy-phenyl)methylidene]-5-methyl-pyrazol-3-one

Systemtic Name: (4E)-2-(4-fluorophenyl)-4-[(3-iodanyl-5-methoxy-4-propan-2-yloxy-phenyl)methylidene]-5-methyl-pyrazol-3-one Openeye Name: (4E)-2-(4-fluorophenyl)-4-[(3-iodo-4-isopropoxy-5-methoxy-phenyl)methylene]-5-methyl-pyrazol-3-one CAS Name: (4E)-2-(4-fluorophenyl)-4-[(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-5-methyl-3-pyrazolone IUPAC Name: (4E)-2-(4-fluorophenyl)-4-[(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-5-methylpyrazol-3-one Traditional Name: (4E)-2-(4-fluorophenyl)-4-(3-iodo-4-isopropoxy-5-methoxy-benzylidene)-5-methyl-2-pyrazolin-3-one Formula: C21H20FIN2O3 MolecularWeight: 494.297973

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)I)OC(C)C)OC)C3=CC=C(C=C3)F

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=C(C(=C2)I)OC(C)C)OC)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FIN2O3/c1-12(2)28-20-18(23)10-14(11-19(20)27-4)9-17-13(3)24-25(21(17)26)16-7-5-15(22)6-8-16/h5-12H,1-4H3/b17-9+