1-[3-nitro-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phenyl]sulfonylpyrrolidine

Systemtic Name: 1-[3-nitro-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phenyl]sulfonylpyrrolidine Openeye Name: 1-[3-nitro-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phenyl]sulfonylpyrrolidine CAS Name: 1-[3-nitro-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phenyl]sulfonylpyrrolidine IUPAC Name: 1-[3-nitro-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phenyl]sulfonylpyrrolidine Traditional Name: 1-[3-nitro-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phenyl]sulfonylpyrrolidine Formula: C19H19N3O9S MolecularWeight: 465.43386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O9S/c23-21(24)15-7-13-10-29-12-31-19(13)14(8-15)11-30-18-4-3-16(9-17(18)22(25)26)32(27,28)20-5-1-2-6-20/h3-4,7-9H,1-2,5-6,10-12H2