(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(4-iodophenyl)-5-methyl-pyrazol-3-one

Systemtic Name: (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(4-iodophenyl)-5-methyl-pyrazol-3-one Openeye Name: (4E)-4-[(3,4-dimethoxyphenyl)methylene]-2-(4-iodophenyl)-5-methyl-pyrazol-3-one CAS Name: (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(4-iodophenyl)-5-methyl-3-pyrazolone IUPAC Name: (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(4-iodophenyl)-5-methylpyrazol-3-one Traditional Name: (4E)-2-(4-iodophenyl)-5-methyl-4-veratrylidene-2-pyrazolin-3-one Formula: C19H17IN2O3 MolecularWeight: 448.25435

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17IN2O3/c1-12-16(10-13-4-9-17(24-2)18(11-13)25-3)19(23)22(21-12)15-7-5-14(20)6-8-15/h4-11H,1-3H3/b16-10+