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

Systemtic Name: 2-[[4-(furan-2-ylmethylamino)-3-nitro-phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-(2-furylmethylamino)-3-nitro-phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-(2-furanylmethylamino)-3-nitrophenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-(2-furfurylamino)-3-nitro-phenyl]sulfonylamino]acetic acid Formula: C13H13N3O7S MolecularWeight: 355.32322

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=C(C=C(C=C2)S(=O)(=O)NCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)CNC2=C(C=C(C=C2)S(=O)(=O)NCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O7S/c17-13(18)8-15-24(21,22)10-3-4-11(12(6-10)16(19)20)14-7-9-2-1-5-23-9/h1-6,14-15H,7-8H2,(H,17,18)