(3E)-3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-5-(4-methylphenyl)furan-2-one

Systemtic Name: (3E)-3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-5-(4-methylphenyl)furan-2-one Openeye Name: (3E)-3-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-5-(p-tolyl)furan-2-one CAS Name: (3E)-3-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-5-(4-methylphenyl)-2-furanone IUPAC Name: (3E)-3-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-5-(4-methylphenyl)furan-2-one Traditional Name: (3E)-3-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-5-(p-tolyl)furan-2-one Formula: C19H13BrO4 MolecularWeight: 385.20812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=CC3=CC4=C(C=C3Br)OCO4)C(=O)O2

Isomeric SMILES

CC1=CC=C(C=C1)C2=C/C(=C\C3=CC4=C(C=C3Br)OCO4)/C(=O)O2

InChI

InChI=1S/C19H13BrO4/c1-11-2-4-12(5-3-11)16-8-14(19(21)24-16)6-13-7-17-18(9-15(13)20)23-10-22-17/h2-9H,10H2,1H3/b14-6+