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

Systemtic Name: 5-bromanyl-3-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-2-oxidanyl-cyclohepta-2,4,6-trien-1-one Openeye Name: 5-bromo-3-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-2-hydroxy-cyclohepta-2,4,6-trien-1-one CAS Name: 5-bromo-3-[(E)-3-(3,4-dimethylphenyl)-1-oxoprop-2-enyl]-2-hydroxy-1-cyclohepta-2,4,6-trienone IUPAC Name: 5-bromo-3-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one Traditional Name: 5-bromo-3-[(E)-3-(3,4-dimethylphenyl)acryloyl]-2-hydroxy-cyclohepta-2,4,6-trien-1-one Formula: C18H15BrO3 MolecularWeight: 359.2139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)C2=C(C(=O)C=CC(=C2)Br)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C(=O)C=CC(=C2)Br)O)C

InChI

InChI=1S/C18H15BrO3/c1-11-3-4-13(9-12(11)2)5-7-16(20)15-10-14(19)6-8-17(21)18(15)22/h3-10H,1-2H3,(H,21,22)/b7-5+