(4E)-4-[(3-iodanyl-4,5-dimethoxy-phenyl)methylidene]-5-methyl-2-(3-methylphenyl)pyrazol-3-one

Systemtic Name: (4E)-4-[(3-iodanyl-4,5-dimethoxy-phenyl)methylidene]-5-methyl-2-(3-methylphenyl)pyrazol-3-one Openeye Name: (4E)-4-[(3-iodo-4,5-dimethoxy-phenyl)methylene]-5-methyl-2-(m-tolyl)pyrazol-3-one CAS Name: (4E)-4-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-5-methyl-2-(3-methylphenyl)-3-pyrazolone IUPAC Name: (4E)-4-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-5-methyl-2-(3-methylphenyl)pyrazol-3-one Traditional Name: (4E)-4-(3-iodo-4,5-dimethoxy-benzylidene)-5-methyl-2-(m-tolyl)-2-pyrazolin-3-one Formula: C20H19IN2O3 MolecularWeight: 462.28093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)I)OC)OC)C(=N2)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)/C(=C/C3=CC(=C(C(=C3)I)OC)OC)/C(=N2)C

InChI

InChI=1S/C20H19IN2O3/c1-12-6-5-7-15(8-12)23-20(24)16(13(2)22-23)9-14-10-17(21)19(26-4)18(11-14)25-3/h5-11H,1-4H3/b16-9+