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

Systemtic Name: 3-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-5-bromanyl-2-oxidanyl-cyclohepta-2,4,6-trien-1-one Openeye Name: 3-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-5-bromo-2-hydroxy-cyclohepta-2,4,6-trien-1-one CAS Name: 3-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-5-bromo-2-hydroxy-1-cyclohepta-2,4,6-trienone IUPAC Name: 3-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-5-bromo-2-hydroxycyclohepta-2,4,6-trien-1-one Traditional Name: 3-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]-5-bromo-2-hydroxy-cyclohepta-2,4,6-trien-1-one Formula: C17H11BrO5 MolecularWeight: 375.17024

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)C3=C(C(=O)C=CC(=C3)Br)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)C3=C(C(=O)C=CC(=C3)Br)O

InChI

InChI=1S/C17H11BrO5/c18-11-3-5-14(20)17(21)12(8-11)13(19)4-1-10-2-6-15-16(7-10)23-9-22-15/h1-8H,9H2,(H,20,21)/b4-1+