(4E)-4-[(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)methylidene]-7-fluoranyl-2,3-dihydro-1-benzoxepin-5-one

Systemtic Name: (4E)-4-[(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)methylidene]-7-fluoranyl-2,3-dihydro-1-benzoxepin-5-one Openeye Name: (4E)-4-[(3-bromo-5-ethoxy-4-hydroxy-phenyl)methylene]-7-fluoro-2,3-dihydro-1-benzoxepin-5-one CAS Name: (4E)-4-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-7-fluoro-2,3-dihydro-1-benzoxepin-5-one IUPAC Name: (4E)-4-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-7-fluoro-2,3-dihydro-1-benzoxepin-5-one Traditional Name: (4E)-4-(3-bromo-5-ethoxy-4-hydroxy-benzylidene)-7-fluoro-2,3-dihydro-1-benzoxepin-5-one Formula: C19H16BrFO4 MolecularWeight: 407.230343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2CCOC3=C(C2=O)C=C(C=C3)F)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/2\CCOC3=C(C2=O)C=C(C=C3)F)Br)O

InChI

InChI=1S/C19H16BrFO4/c1-2-24-17-9-11(8-15(20)19(17)23)7-12-5-6-25-16-4-3-13(21)10-14(16)18(12)22/h3-4,7-10,23H,2,5-6H2,1H3/b12-7+