2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetic acid Formula: C9H11N3O6S MolecularWeight: 289.26514

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H11N3O6S/c1-10-7-3-2-6(4-8(7)12(15)16)19(17,18)11-5-9(13)14/h2-4,10-11H,5H2,1H3,(H,13,14)