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

Systemtic Name: 3-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]benzoic acid Openeye Name: 3-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]benzoic acid CAS Name: 3-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]benzoic acid IUPAC Name: 3-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]benzoic acid Traditional Name: 3-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]benzoic acid Formula: C14H13N3O6S MolecularWeight: 351.33452

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O6S/c1-15-12-6-5-11(8-13(12)17(20)21)24(22,23)16-10-4-2-3-9(7-10)14(18)19/h2-8,15-16H,1H3,(H,18,19)