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

Systemtic Name: (4Z)-2-(1,3-benzodioxol-5-yl)-4-[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylidene]-1,3-oxazol-5-one Openeye Name: (4Z)-4-[(4-allyloxy-3-bromo-5-methoxy-phenyl)methylene]-2-(1,3-benzodioxol-5-yl)oxazol-5-one CAS Name: (4Z)-2-(1,3-benzodioxol-5-yl)-4-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-5-oxazolone IUPAC Name: (4Z)-2-(1,3-benzodioxol-5-yl)-4-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one Traditional Name: (4Z)-4-(4-allyloxy-3-bromo-5-methoxy-benzylidene)-2-(1,3-benzodioxol-5-yl)-2-oxazolin-5-one Formula: C21H16BrNO6 MolecularWeight: 458.25884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)OC(=N2)C3=CC4=C(C=C3)OCO4)Br)OCC=C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C\2/C(=O)OC(=N2)C3=CC4=C(C=C3)OCO4)Br)OCC=C

InChI

InChI=1S/C21H16BrNO6/c1-3-6-26-19-14(22)7-12(9-18(19)25-2)8-15-21(24)29-20(23-15)13-4-5-16-17(10-13)28-11-27-16/h3-5,7-10H,1,6,11H2,2H3/b15-8-