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

Systemtic Name: (4E)-4-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-7-fluoranyl-2,3-dihydro-1-benzoxepin-5-one Openeye Name: (4E)-4-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylene]-7-fluoro-2,3-dihydro-1-benzoxepin-5-one CAS Name: (4E)-4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-7-fluoro-2,3-dihydro-1-benzoxepin-5-one IUPAC Name: (4E)-4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-7-fluoro-2,3-dihydro-1-benzoxepin-5-one Traditional Name: (4E)-4-(3-bromo-4-hydroxy-5-methoxy-benzylidene)-7-fluoro-2,3-dihydro-1-benzoxepin-5-one Formula: C18H14BrFO4 MolecularWeight: 393.203763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrFO4/c1-23-16-8-10(7-14(19)18(16)22)6-11-4-5-24-15-3-2-12(20)9-13(15)17(11)21/h2-3,6-9,22H,4-5H2,1H3/b11-6+