1-[4-[(6-bromanyl-1,3-benzodioxol-5-yl)methoxy]-3-nitro-phenyl]sulfonylpyrrolidine

Systemtic Name: 1-[4-[(6-bromanyl-1,3-benzodioxol-5-yl)methoxy]-3-nitro-phenyl]sulfonylpyrrolidine Openeye Name: 1-[4-[(6-bromo-1,3-benzodioxol-5-yl)methoxy]-3-nitro-phenyl]sulfonylpyrrolidine CAS Name: 1-[4-[(6-bromo-1,3-benzodioxol-5-yl)methoxy]-3-nitrophenyl]sulfonylpyrrolidine IUPAC Name: 1-[4-[(6-bromo-1,3-benzodioxol-5-yl)methoxy]-3-nitrophenyl]sulfonylpyrrolidine Traditional Name: 1-[4-[(6-bromo-1,3-benzodioxol-5-yl)methoxy]-3-nitro-phenyl]sulfonylpyrrolidine Formula: C18H17BrN2O7S MolecularWeight: 485.30578

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC3=CC4=C(C=C3Br)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC3=CC4=C(C=C3Br)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H17BrN2O7S/c19-14-9-18-17(27-11-28-18)7-12(14)10-26-16-4-3-13(8-15(16)21(22)23)29(24,25)20-5-1-2-6-20/h3-4,7-9H,1-2,5-6,10-11H2