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

Systemtic Name: (4E)-8-bromanyl-4-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2,3-dihydro-1-benzoxepin-5-one Openeye Name: (4E)-8-bromo-4-[(3-hydroxy-4-methoxy-phenyl)methylene]-2,3-dihydro-1-benzoxepin-5-one CAS Name: (4E)-8-bromo-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2,3-dihydro-1-benzoxepin-5-one IUPAC Name: (4E)-8-bromo-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2,3-dihydro-1-benzoxepin-5-one Traditional Name: (4E)-8-bromo-4-(3-hydroxy-4-methoxy-benzylidene)-2,3-dihydro-1-benzoxepin-5-one Formula: C18H15BrO4 MolecularWeight: 375.2133

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2CCOC3=C(C2=O)C=CC(=C3)Br)O

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/2\CCOC3=C(C2=O)C=CC(=C3)Br)O

InChI

InChI=1S/C18H15BrO4/c1-22-16-5-2-11(9-15(16)20)8-12-6-7-23-17-10-13(19)3-4-14(17)18(12)21/h2-5,8-10,20H,6-7H2,1H3/b12-8+