(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3-bromanyl-4-methoxy-phenyl)-1,3-oxazol-5-one

Systemtic Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3-bromanyl-4-methoxy-phenyl)-1,3-oxazol-5-one Openeye Name: (4E)-4-(1,3-benzodioxol-5-ylmethylene)-2-(3-bromo-4-methoxy-phenyl)oxazol-5-one CAS Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3-bromo-4-methoxyphenyl)-5-oxazolone IUPAC Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(3-bromo-4-methoxyphenyl)-1,3-oxazol-5-one Traditional Name: (4E)-2-(3-bromo-4-methoxy-phenyl)-4-piperonylidene-2-oxazolin-5-one Formula: C18H12BrNO5 MolecularWeight: 402.19558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CC3=CC4=C(C=C3)OCO4)C(=O)O2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=N/C(=C/C3=CC4=C(C=C3)OCO4)/C(=O)O2)Br

InChI

InChI=1S/C18H12BrNO5/c1-22-14-5-3-11(8-12(14)19)17-20-13(18(21)25-17)6-10-2-4-15-16(7-10)24-9-23-15/h2-8H,9H2,1H3/b13-6+