1-[4-(1,3-benzodioxol-5-yloxy)-3-nitro-phenyl]sulfonylpyrrolidine

Systemtic Name: 1-[4-(1,3-benzodioxol-5-yloxy)-3-nitro-phenyl]sulfonylpyrrolidine Openeye Name: 1-[4-(1,3-benzodioxol-5-yloxy)-3-nitro-phenyl]sulfonylpyrrolidine CAS Name: 1-[4-(1,3-benzodioxol-5-yloxy)-3-nitrophenyl]sulfonylpyrrolidine IUPAC Name: 1-[4-(1,3-benzodioxol-5-yloxy)-3-nitrophenyl]sulfonylpyrrolidine Traditional Name: 1-[4-(1,3-benzodioxol-5-yloxy)-3-nitro-phenyl]sulfonylpyrrolidine Formula: C17H16N2O7S MolecularWeight: 392.38314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O7S/c20-19(21)14-10-13(27(22,23)18-7-1-2-8-18)4-6-15(14)26-12-3-5-16-17(9-12)25-11-24-16/h3-6,9-10H,1-2,7-8,11H2