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

Systemtic Name: 2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)sulfonylamino]ethanoic acid Openeye Name: 2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)sulfonylamino]acetic acid CAS Name: 2-[[3-nitro-4-(1-pyrrolidinyl)phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylamino]acetic acid Traditional Name: 2-[(3-nitro-4-pyrrolidino-phenyl)sulfonylamino]acetic acid Formula: C12H15N3O6S MolecularWeight: 329.329

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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)