[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 3-nitrobenzoate

Systemtic Name: [(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 3-nitrobenzoate Openeye Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 3-nitrobenzoate CAS Name: 3-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 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester Formula: C22H16FNO6 MolecularWeight: 409.363943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16FNO6/c23-18-9-16(12-28-21(25)15-7-4-8-19(11-15)24(26)27)20-17(10-18)13-29-22(30-20)14-5-2-1-3-6-14/h1-11,22H,12-13H2/t22-/m0/s1