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

Systemtic Name: (4E)-2-(2-chloranyl-5-iodanyl-phenyl)-4-[(2-ethanoyl-5-phenyl-pyrazol-3-yl)methylidene]-1,3-oxazol-5-one Openeye Name: (4E)-4-[(2-acetyl-5-phenyl-pyrazol-3-yl)methylene]-2-(2-chloro-5-iodo-phenyl)oxazol-5-one CAS Name: (4E)-4-[(2-acetyl-5-phenyl-3-pyrazolyl)methylidene]-2-(2-chloro-5-iodophenyl)-5-oxazolone IUPAC Name: (4E)-4-[(2-acetyl-5-phenylpyrazol-3-yl)methylidene]-2-(2-chloro-5-iodophenyl)-1,3-oxazol-5-one Traditional Name: (4E)-4-[(2-acetyl-5-phenyl-pyrazol-3-yl)methylene]-2-(2-chloro-5-iodo-phenyl)-2-oxazolin-5-one Formula: C21H13ClIN3O3 MolecularWeight: 517.70369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)N1C(=CC(=N1)C2=CC=CC=C2)/C=C/3\C(=O)OC(=N3)C4=C(C=CC(=C4)I)Cl

InChI

InChI=1S/C21H13ClIN3O3/c1-12(27)26-15(10-18(25-26)13-5-3-2-4-6-13)11-19-21(28)29-20(24-19)16-9-14(23)7-8-17(16)22/h2-11H,1H3/b19-11+