2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoate

Systemtic Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoate Openeye Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetate CAS Name: 2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetate IUPAC Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetate Traditional Name: 2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetate Formula: C12H13N2O7S- MolecularWeight: 329.30582

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O7S/c15-12(16)8-21-11-4-3-9(7-10(11)14(17)18)22(19,20)13-5-1-2-6-13/h3-4,7H,1-2,5-6,8H2,(H,15,16)/p-1