(4E)-4-[(4-bromanyl-5-iodanyl-furan-2-yl)methylidene]-5-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: (4E)-4-[(4-bromanyl-5-iodanyl-furan-2-yl)methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[(4-bromo-5-iodo-2-furyl)methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[(4-bromo-5-iodo-2-furanyl)methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[(4-bromo-5-iodofuran-2-yl)methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-[(4-bromo-5-iodo-2-furyl)methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C15H10BrIN2O2 MolecularWeight: 457.06057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(O2)I)Br)C3=CC=CC=C3

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=C(O2)I)Br)C3=CC=CC=C3

InChI

InChI=1S/C15H10BrIN2O2/c1-9-12(7-11-8-13(16)14(17)21-11)15(20)19(18-9)10-5-3-2-4-6-10/h2-8H,1H3/b12-7+