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

Systemtic Name: (4E)-4-[(4-iodophenyl)methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[(4-iodophenyl)methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[(4-iodophenyl)methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[(4-iodophenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-(4-iodobenzylidene)-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C17H13IN2O MolecularWeight: 388.20239

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13IN2O/c1-12-16(11-13-7-9-14(18)10-8-13)17(21)20(19-12)15-5-3-2-4-6-15/h2-11H,1H3/b16-11+