4-[(3-iodanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylidene]-2-(3-methylphenyl)-1,3-oxazol-5-one

Systemtic Name: 4-[(3-iodanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylidene]-2-(3-methylphenyl)-1,3-oxazol-5-one Openeye Name: 4-[(4-allyloxy-3-iodo-5-methoxy-phenyl)methylene]-2-(m-tolyl)oxazol-5-one CAS Name: 4-[(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-2-(3-methylphenyl)-5-oxazolone IUPAC Name: 4-[(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-2-(3-methylphenyl)-1,3-oxazol-5-one Traditional Name: 4-(4-allyloxy-3-iodo-5-methoxy-benzylidene)-2-(m-tolyl)-2-oxazolin-5-one Formula: C21H18INO4 MolecularWeight: 475.27639

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=CC3=CC(=C(C(=C3)I)OCC=C)OC)C(=O)O2

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=CC3=CC(=C(C(=C3)I)OCC=C)OC)C(=O)O2

InChI

InChI=1S/C21H18INO4/c1-4-8-26-19-16(22)10-14(12-18(19)25-3)11-17-21(24)27-20(23-17)15-7-5-6-13(2)9-15/h4-7,9-12H,1,8H2,2-3H3