[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 2-azanyl-5-nitro-benzoate

Systemtic Name: [(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 2-azanyl-5-nitro-benzoate Openeye Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester IUPAC Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester Formula: C22H17FN2O6 MolecularWeight: 424.378583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17FN2O6/c23-16-8-14(11-29-21(26)18-10-17(25(27)28)6-7-19(18)24)20-15(9-16)12-30-22(31-20)13-4-2-1-3-5-13/h1-10,22H,11-12,24H2/t22-/m0/s1