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

Systemtic Name: (4E)-7-fluoranyl-4-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-2,3-dihydro-1-benzoxepin-5-one Openeye Name: (4E)-7-fluoro-4-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]-2,3-dihydro-1-benzoxepin-5-one CAS Name: (4E)-7-fluoro-4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2,3-dihydro-1-benzoxepin-5-one IUPAC Name: (4E)-7-fluoro-4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2,3-dihydro-1-benzoxepin-5-one Traditional Name: (4E)-7-fluoro-4-(4-hydroxy-3-methoxy-5-nitro-benzylidene)-2,3-dihydro-1-benzoxepin-5-one Formula: C18H14FNO6 MolecularWeight: 359.305263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2CCOC3=C(C2=O)C=C(C=C3)F

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C/2\CCOC3=C(C2=O)C=C(C=C3)F

InChI

InChI=1S/C18H14FNO6/c1-25-16-8-10(7-14(18(16)22)20(23)24)6-11-4-5-26-15-3-2-12(19)9-13(15)17(11)21/h2-3,6-9,22H,4-5H2,1H3/b11-6+