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

Systemtic Name: (4E)-4-[(3-iodanyl-5-methoxy-4-propoxy-phenyl)methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[(3-iodo-5-methoxy-4-propoxy-phenyl)methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[(3-iodo-5-methoxy-4-propoxyphenyl)methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[(3-iodo-5-methoxy-4-propoxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-(3-iodo-5-methoxy-4-propoxy-benzylidene)-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C21H21IN2O3 MolecularWeight: 476.30751

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1I)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1I)/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)C)OC

InChI

InChI=1S/C21H21IN2O3/c1-4-10-27-20-18(22)12-15(13-19(20)26-3)11-17-14(2)23-24(21(17)25)16-8-6-5-7-9-16/h5-9,11-13H,4,10H2,1-3H3/b17-11+