(E)-1-(1,3-benzodioxol-5-yl)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(5-bromo-2-methoxy-phenyl)prop-2-en-1-one CAS Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(5-bromo-2-methoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(5-bromo-2-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(5-bromo-2-methoxy-phenyl)prop-2-en-1-one Formula: C17H13BrO4 MolecularWeight: 361.18672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H13BrO4/c1-20-15-7-4-13(18)8-12(15)2-5-14(19)11-3-6-16-17(9-11)22-10-21-16/h2-9H,10H2,1H3/b5-2+