(2S)-6-fluoranyl-8-[(2-methoxy-5-nitro-phenoxy)methyl]-2-phenyl-4H-1,3-benzodioxine

Systemtic Name: (2S)-6-fluoranyl-8-[(2-methoxy-5-nitro-phenoxy)methyl]-2-phenyl-4H-1,3-benzodioxine Openeye Name: (2S)-6-fluoro-8-[(2-methoxy-5-nitro-phenoxy)methyl]-2-phenyl-4H-1,3-benzodioxine CAS Name: (2S)-6-fluoro-8-[(2-methoxy-5-nitrophenoxy)methyl]-2-phenyl-4H-1,3-benzodioxin IUPAC Name: (2S)-6-fluoro-8-[(2-methoxy-5-nitrophenoxy)methyl]-2-phenyl-4H-1,3-benzodioxine Traditional Name: (2S)-6-fluoro-8-[(2-methoxy-5-nitro-phenoxy)methyl]-2-phenyl-4H-1,3-benzodioxin Formula: C22H18FNO6 MolecularWeight: 411.379823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC2=C3C(=CC(=C2)F)CO[C@@H](O3)C4=CC=CC=C4

InChI

InChI=1S/C22H18FNO6/c1-27-19-8-7-18(24(25)26)11-20(19)28-12-15-9-17(23)10-16-13-29-22(30-21(15)16)14-5-3-2-4-6-14/h2-11,22H,12-13H2,1H3/t22-/m0/s1