2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)sulfonylamino]ethanoate

Systemtic Name: 2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)sulfonylamino]ethanoate Openeye Name: 2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)sulfonylamino]acetate CAS Name: 2-[[3-nitro-4-(1-pyrrolidinyl)phenyl]sulfonylamino]acetate IUPAC Name: 2-[(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylamino]acetate Traditional Name: 2-[(3-nitro-4-pyrrolidino-phenyl)sulfonylamino]acetate Formula: C12H14N3O6S- MolecularWeight: 328.32106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O6S/c16-12(17)8-13-22(20,21)9-3-4-10(11(7-9)15(18)19)14-5-1-2-6-14/h3-4,7,13H,1-2,5-6,8H2,(H,16,17)/p-1