6-bromanyl-3-[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]chromen-2-one

Systemtic Name: 6-bromanyl-3-[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]chromen-2-one Openeye Name: 6-bromo-3-[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]chromen-2-one CAS Name: 6-bromo-3-[(E)-1-oxo-3-(2,4,5-trimethoxyphenyl)prop-2-enyl]-1-benzopyran-2-one IUPAC Name: 6-bromo-3-[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]chromen-2-one Traditional Name: 3-[(E)-3-asarylacryloyl]-6-bromo-coumarin Formula: C21H17BrO6 MolecularWeight: 445.26008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=CC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1/C=C/C(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O)OC)OC

InChI

InChI=1S/C21H17BrO6/c1-25-18-11-20(27-3)19(26-2)10-12(18)4-6-16(23)15-9-13-8-14(22)5-7-17(13)28-21(15)24/h4-11H,1-3H3/b6-4+