3-[[2,4-bis(fluoranyl)-5-nitro-phenyl]sulfonylamino]propanoate

Systemtic Name: 3-[[2,4-bis(fluoranyl)-5-nitro-phenyl]sulfonylamino]propanoate Openeye Name: 3-[(2,4-difluoro-5-nitro-phenyl)sulfonylamino]propanoate CAS Name: 3-[(2,4-difluoro-5-nitrophenyl)sulfonylamino]propanoate IUPAC Name: 3-[(2,4-difluoro-5-nitrophenyl)sulfonylamino]propanoate Traditional Name: 3-[(2,4-difluoro-5-nitro-phenyl)sulfonylamino]propionate Formula: C9H7F2N2O6S- MolecularWeight: 309.223486

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1S(=O)(=O)NCCC(=O)[O-])F)F)[N+](=O)[O-]

Isomeric SMILES

C1=C(C(=CC(=C1S(=O)(=O)NCCC(=O)[O-])F)F)[N+](=O)[O-]

InChI

InChI=1S/C9H8F2N2O6S/c10-5-3-6(11)8(4-7(5)13(16)17)20(18,19)12-2-1-9(14)15/h3-4,12H,1-2H2,(H,14,15)/p-1