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

Systemtic Name: 4-[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one Openeye Name: 4-[(4-allyloxy-3-bromo-5-methoxy-phenyl)methylene]-2-(p-tolyl)oxazol-5-one CAS Name: 4-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-2-(4-methylphenyl)-5-oxazolone IUPAC Name: 4-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one Traditional Name: 4-(4-allyloxy-3-bromo-5-methoxy-benzylidene)-2-(p-tolyl)-2-oxazolin-5-one Formula: C21H18BrNO4 MolecularWeight: 428.27592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrNO4/c1-4-9-26-19-16(22)10-14(12-18(19)25-3)11-17-21(24)27-20(23-17)15-7-5-13(2)6-8-15/h4-8,10-12H,1,9H2,2-3H3