(4Z)-2-(4-bromophenyl)-4-[(4-butoxy-3-iodanyl-5-methoxy-phenyl)methylidene]-5-methyl-pyrazol-3-one

Systemtic Name: (4Z)-2-(4-bromophenyl)-4-[(4-butoxy-3-iodanyl-5-methoxy-phenyl)methylidene]-5-methyl-pyrazol-3-one Openeye Name: (4Z)-2-(4-bromophenyl)-4-[(4-butoxy-3-iodo-5-methoxy-phenyl)methylene]-5-methyl-pyrazol-3-one CAS Name: (4Z)-2-(4-bromophenyl)-4-[(4-butoxy-3-iodo-5-methoxyphenyl)methylidene]-5-methyl-3-pyrazolone IUPAC Name: (4Z)-2-(4-bromophenyl)-4-[(4-butoxy-3-iodo-5-methoxyphenyl)methylidene]-5-methylpyrazol-3-one Traditional Name: (4Z)-2-(4-bromophenyl)-4-(4-butoxy-3-iodo-5-methoxy-benzylidene)-5-methyl-2-pyrazolin-3-one Formula: C22H22BrIN2O3 MolecularWeight: 569.23015

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1I)C=C2C(=NN(C2=O)C3=CC=C(C=C3)Br)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1I)/C=C\2/C(=NN(C2=O)C3=CC=C(C=C3)Br)C)OC

InChI

InChI=1S/C22H22BrIN2O3/c1-4-5-10-29-21-19(24)12-15(13-20(21)28-3)11-18-14(2)25-26(22(18)27)17-8-6-16(23)7-9-17/h6-9,11-13H,4-5,10H2,1-3H3/b18-11-