2-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-3-nitro-phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-3-nitro-phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-3-nitro-phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-3-nitro-phenyl]sulfonylamino]acetic acid Formula: C17H17N3O8S MolecularWeight: 423.39718

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC3=C(C=C(C=C3)S(=O)(=O)NCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CNC3=C(C=C(C=C3)S(=O)(=O)NCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O8S/c21-17(22)9-19-29(25,26)12-5-6-13(14(7-12)20(23)24)18-8-11-10-27-15-3-1-2-4-16(15)28-11/h1-7,11,18-19H,8-10H2,(H,21,22)