(4E)-8-bromanyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzoxepin-5-one

Systemtic Name: (4E)-8-bromanyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzoxepin-5-one Openeye Name: (4E)-8-bromo-4-[(3,4,5-trimethoxyphenyl)methylene]-2,3-dihydro-1-benzoxepin-5-one CAS Name: (4E)-8-bromo-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzoxepin-5-one IUPAC Name: (4E)-8-bromo-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzoxepin-5-one Traditional Name: (4E)-8-bromo-4-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzoxepin-5-one Formula: C20H19BrO5 MolecularWeight: 419.26586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=C2CCOC3=C(C2=O)C=CC(=C3)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/2\CCOC3=C(C2=O)C=CC(=C3)Br

InChI

InChI=1S/C20H19BrO5/c1-23-17-9-12(10-18(24-2)20(17)25-3)8-13-6-7-26-16-11-14(21)4-5-15(16)19(13)22/h4-5,8-11H,6-7H2,1-3H3/b13-8+