2-[[(2S)-6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[(2S)-6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C23H15BrN2O6 MolecularWeight: 495.279

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-])Br

Isomeric SMILES

C1C2=CC(=CC(=C2O[C@H](O1)C3=CC=CC=C3)CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-])Br

InChI

InChI=1S/C23H15BrN2O6/c24-16-8-14(20-15(9-16)12-31-23(32-20)13-4-2-1-3-5-13)11-25-21(27)18-7-6-17(26(29)30)10-19(18)22(25)28/h1-10,23H,11-12H2/t23-/m0/s1