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

Systemtic Name: [(2S)-6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 4-azanyl-3-nitro-benzoate Openeye Name: [(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester IUPAC Name: [(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester Formula: C22H17BrN2O6 MolecularWeight: 485.28418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17BrN2O6/c23-17-8-15(11-29-21(26)14-6-7-18(24)19(10-14)25(27)28)20-16(9-17)12-30-22(31-20)13-4-2-1-3-5-13/h1-10,22H,11-12,24H2/t22-/m0/s1