(E)-3-(3-bromanyl-4,5-diethoxy-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-bromanyl-4,5-diethoxy-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one Openeye Name: (E)-3-(3-bromo-4,5-diethoxy-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one CAS Name: (E)-3-(3-bromo-4,5-diethoxyphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propen-1-one IUPAC Name: (E)-3-(3-bromo-4,5-diethoxyphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one Traditional Name: (E)-3-(3-bromo-4,5-diethoxy-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one Formula: C21H21BrO5 MolecularWeight: 433.29244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)C2=CC3=C(C=C2)OCCO3)Br)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)C2=CC3=C(C=C2)OCCO3)Br)OCC

InChI

InChI=1S/C21H21BrO5/c1-3-24-20-12-14(11-16(22)21(20)25-4-2)5-7-17(23)15-6-8-18-19(13-15)27-10-9-26-18/h5-8,11-13H,3-4,9-10H2,1-2H3/b7-5+