(4E)-4-[(4-butoxy-3-ethoxy-5-iodanyl-phenyl)methylidene]-2-(2-chlorophenyl)-5-methyl-pyrazol-3-one

Systemtic Name: (4E)-4-[(4-butoxy-3-ethoxy-5-iodanyl-phenyl)methylidene]-2-(2-chlorophenyl)-5-methyl-pyrazol-3-one Openeye Name: (4E)-4-[(4-butoxy-3-ethoxy-5-iodo-phenyl)methylene]-2-(2-chlorophenyl)-5-methyl-pyrazol-3-one CAS Name: (4E)-4-[(4-butoxy-3-ethoxy-5-iodophenyl)methylidene]-2-(2-chlorophenyl)-5-methyl-3-pyrazolone IUPAC Name: (4E)-4-[(4-butoxy-3-ethoxy-5-iodophenyl)methylidene]-2-(2-chlorophenyl)-5-methylpyrazol-3-one Traditional Name: (4E)-4-(4-butoxy-3-ethoxy-5-iodo-benzylidene)-2-(2-chlorophenyl)-5-methyl-2-pyrazolin-3-one Formula: C23H24ClIN2O3 MolecularWeight: 538.80573

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1I)C=C2C(=NN(C2=O)C3=CC=CC=C3Cl)C)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1I)/C=C/2\C(=NN(C2=O)C3=CC=CC=C3Cl)C)OCC

InChI

InChI=1S/C23H24ClIN2O3/c1-4-6-11-30-22-19(25)13-16(14-21(22)29-5-2)12-17-15(3)26-27(23(17)28)20-10-8-7-9-18(20)24/h7-10,12-14H,4-6,11H2,1-3H3/b17-12+