4-[(1-ethanoyl-3-phenyl-pyrazol-4-yl)methylidene]-2-(3-iodanylphenyl)-1,3-oxazol-5-one

Systemtic Name: 4-[(1-ethanoyl-3-phenyl-pyrazol-4-yl)methylidene]-2-(3-iodanylphenyl)-1,3-oxazol-5-one Openeye Name: 4-[(1-acetyl-3-phenyl-pyrazol-4-yl)methylene]-2-(3-iodophenyl)oxazol-5-one CAS Name: 4-[(1-acetyl-3-phenyl-4-pyrazolyl)methylidene]-2-(3-iodophenyl)-5-oxazolone IUPAC Name: 4-[(1-acetyl-3-phenylpyrazol-4-yl)methylidene]-2-(3-iodophenyl)-1,3-oxazol-5-one Traditional Name: 4-[(1-acetyl-3-phenyl-pyrazol-4-yl)methylene]-2-(3-iodophenyl)-2-oxazolin-5-one Formula: C21H14IN3O3 MolecularWeight: 483.25863

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C(=N1)C2=CC=CC=C2)C=C3C(=O)OC(=N3)C4=CC(=CC=C4)I

Isomeric SMILES

CC(=O)N1C=C(C(=N1)C2=CC=CC=C2)C=C3C(=O)OC(=N3)C4=CC(=CC=C4)I

InChI

InChI=1S/C21H14IN3O3/c1-13(26)25-12-16(19(24-25)14-6-3-2-4-7-14)11-18-21(27)28-20(23-18)15-8-5-9-17(22)10-15/h2-12H,1H3