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

Systemtic Name: (4E)-7-fluoranyl-4-[[4-(methylamino)-3-nitro-phenyl]methylidene]-2,3-dihydro-1-benzoxepin-5-one Openeye Name: (4E)-7-fluoro-4-[[4-(methylamino)-3-nitro-phenyl]methylene]-2,3-dihydro-1-benzoxepin-5-one CAS Name: (4E)-7-fluoro-4-[[4-(methylamino)-3-nitrophenyl]methylidene]-2,3-dihydro-1-benzoxepin-5-one IUPAC Name: (4E)-7-fluoro-4-[[4-(methylamino)-3-nitrophenyl]methylidene]-2,3-dihydro-1-benzoxepin-5-one Traditional Name: (4E)-7-fluoro-4-[4-(methylamino)-3-nitro-benzylidene]-2,3-dihydro-1-benzoxepin-5-one Formula: C18H15FN2O4 MolecularWeight: 342.321103

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C=C2CCOC3=C(C2=O)C=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)/C=C/2\CCOC3=C(C2=O)C=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H15FN2O4/c1-20-15-4-2-11(9-16(15)21(23)24)8-12-6-7-25-17-5-3-13(19)10-14(17)18(12)22/h2-5,8-10,20H,6-7H2,1H3/b12-8+