4-[(3-ethoxy-5-iodanyl-4-methoxy-phenyl)methylidene]-5-methyl-2-(3-methylphenyl)pyrazol-3-one

Systemtic Name: 4-[(3-ethoxy-5-iodanyl-4-methoxy-phenyl)methylidene]-5-methyl-2-(3-methylphenyl)pyrazol-3-one Openeye Name: 4-[(3-ethoxy-5-iodo-4-methoxy-phenyl)methylene]-5-methyl-2-(m-tolyl)pyrazol-3-one CAS Name: 4-[(3-ethoxy-5-iodo-4-methoxyphenyl)methylidene]-5-methyl-2-(3-methylphenyl)-3-pyrazolone IUPAC Name: 4-[(3-ethoxy-5-iodo-4-methoxyphenyl)methylidene]-5-methyl-2-(3-methylphenyl)pyrazol-3-one Traditional Name: 4-(3-ethoxy-5-iodo-4-methoxy-benzylidene)-5-methyl-2-(m-tolyl)-2-pyrazolin-3-one Formula: C21H21IN2O3 MolecularWeight: 476.30751

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC(=C3)C)C)I)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC(=C3)C)C)I)OC

InChI

InChI=1S/C21H21IN2O3/c1-5-27-19-12-15(11-18(22)20(19)26-4)10-17-14(3)23-24(21(17)25)16-8-6-7-13(2)9-16/h6-12H,5H2,1-4H3