1-[4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-3-nitro-phenyl]sulfonylpyrrolidine

Systemtic Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-3-nitro-phenyl]sulfonylpyrrolidine Openeye Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-3-nitro-phenyl]sulfonylpyrrolidine CAS Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-3-nitrophenyl]sulfonylpyrrolidine IUPAC Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-3-nitrophenyl]sulfonylpyrrolidine Traditional Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-3-nitro-phenyl]sulfonylpyrrolidine Formula: C18H18N2O7S MolecularWeight: 406.40972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O7S/c21-20(22)15-12-14(28(23,24)19-7-1-2-8-19)4-6-16(15)27-13-3-5-17-18(11-13)26-10-9-25-17/h3-6,11-12H,1-2,7-10H2