(4E)-4-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(4-iodophenyl)-5-methyl-pyrazol-3-one

Systemtic Name: (4E)-4-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(4-iodophenyl)-5-methyl-pyrazol-3-one Openeye Name: (4E)-4-[(E)-3-(2-furyl)prop-2-enylidene]-2-(4-iodophenyl)-5-methyl-pyrazol-3-one CAS Name: (4E)-4-[(E)-3-(2-furanyl)prop-2-enylidene]-2-(4-iodophenyl)-5-methyl-3-pyrazolone IUPAC Name: (4E)-4-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(4-iodophenyl)-5-methylpyrazol-3-one Traditional Name: (4E)-4-[(E)-3-(2-furyl)prop-2-enylidene]-2-(4-iodophenyl)-5-methyl-2-pyrazolin-3-one Formula: C17H13IN2O2 MolecularWeight: 404.20179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC=CC2=CC=CO2)C3=CC=C(C=C3)I

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C=C/C2=CC=CO2)C3=CC=C(C=C3)I

InChI

InChI=1S/C17H13IN2O2/c1-12-16(6-2-4-15-5-3-11-22-15)17(21)20(19-12)14-9-7-13(18)8-10-14/h2-11H,1H3/b4-2+,16-6+