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

Systemtic Name: (4E)-7-fluoranyl-4-[(4-methyl-3-nitro-phenyl)methylidene]-2,3-dihydro-1-benzoxepin-5-one Openeye Name: (4E)-7-fluoro-4-[(4-methyl-3-nitro-phenyl)methylene]-2,3-dihydro-1-benzoxepin-5-one CAS Name: (4E)-7-fluoro-4-[(4-methyl-3-nitrophenyl)methylidene]-2,3-dihydro-1-benzoxepin-5-one IUPAC Name: (4E)-7-fluoro-4-[(4-methyl-3-nitrophenyl)methylidene]-2,3-dihydro-1-benzoxepin-5-one Traditional Name: (4E)-7-fluoro-4-(4-methyl-3-nitro-benzylidene)-2,3-dihydro-1-benzoxepin-5-one Formula: C18H14FNO4 MolecularWeight: 327.306463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=C2CCOC3=C(C2=O)C=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/2\CCOC3=C(C2=O)C=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H14FNO4/c1-11-2-3-12(9-16(11)20(22)23)8-13-6-7-24-17-5-4-14(19)10-15(17)18(13)21/h2-5,8-10H,6-7H2,1H3/b13-8+