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

Systemtic Name: (2S)-6-fluoranyl-8-[(5-fluoranyl-2-nitro-phenoxy)methyl]-2-phenyl-4H-1,3-benzodioxine Openeye Name: (2S)-6-fluoro-8-[(5-fluoro-2-nitro-phenoxy)methyl]-2-phenyl-4H-1,3-benzodioxine CAS Name: (2S)-6-fluoro-8-[(5-fluoro-2-nitrophenoxy)methyl]-2-phenyl-4H-1,3-benzodioxin IUPAC Name: (2S)-6-fluoro-8-[(5-fluoro-2-nitrophenoxy)methyl]-2-phenyl-4H-1,3-benzodioxine Traditional Name: (2S)-6-fluoro-8-[(5-fluoro-2-nitro-phenoxy)methyl]-2-phenyl-4H-1,3-benzodioxin Formula: C21H15F2NO5 MolecularWeight: 399.344306

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC4=C(C=CC(=C4)F)[N+](=O)[O-])F

Isomeric SMILES

C1C2=CC(=CC(=C2O[C@H](O1)C3=CC=CC=C3)COC4=C(C=CC(=C4)F)[N+](=O)[O-])F

InChI

InChI=1S/C21H15F2NO5/c22-16-6-7-18(24(25)26)19(10-16)27-11-14-8-17(23)9-15-12-28-21(29-20(14)15)13-4-2-1-3-5-13/h1-10,21H,11-12H2/t21-/m0/s1