5-bromanyl-3-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2-oxidanyl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 5-bromanyl-3-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2-oxidanyl-cyclohepta-2,4,6-trien-1-one Openeye Name: 5-bromo-3-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2-hydroxy-cyclohepta-2,4,6-trien-1-one CAS Name: 5-bromo-3-[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]-2-hydroxy-1-cyclohepta-2,4,6-trienone IUPAC Name: 5-bromo-3-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one Traditional Name: 5-bromo-3-[(E)-3-(3,4-dimethoxyphenyl)acryloyl]-2-hydroxy-cyclohepta-2,4,6-trien-1-one Formula: C18H15BrO5 MolecularWeight: 391.2127

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2=C(C(=O)C=CC(=C2)Br)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrO5/c1-23-16-8-4-11(9-17(16)24-2)3-6-14(20)13-10-12(19)5-7-15(21)18(13)22/h3-10H,1-2H3,(H,21,22)/b6-3+