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

Systemtic Name: [(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 4-nitrobenzoate Openeye Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 4-nitrobenzoate CAS Name: 4-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 4-nitrobenzoate Traditional Name: 4-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=C(C=C4)[N+](=O)[O-])F

Isomeric SMILES

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

InChI

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