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

Systemtic Name: 5-bromanyl-3-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-2-oxidanyl-cyclohepta-2,4,6-trien-1-one Openeye Name: 5-bromo-2-hydroxy-3-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]cyclohepta-2,4,6-trien-1-one CAS Name: 5-bromo-2-hydroxy-3-[(E)-3-(3-methoxyphenyl)-1-oxoprop-2-enyl]-1-cyclohepta-2,4,6-trienone IUPAC Name: 5-bromo-2-hydroxy-3-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]cyclohepta-2,4,6-trien-1-one Traditional Name: 5-bromo-2-hydroxy-3-[(E)-3-(3-methoxyphenyl)acryloyl]cyclohepta-2,4,6-trien-1-one Formula: C17H13BrO4 MolecularWeight: 361.18672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrO4/c1-22-13-4-2-3-11(9-13)5-7-15(19)14-10-12(18)6-8-16(20)17(14)21/h2-10H,1H3,(H,20,21)/b7-5+