2-[(2-chloranylethanoylamino)methyl]-5-nitro-3-oxidanyl-benzenesulfonate

Systemtic Name: 2-[(2-chloranylethanoylamino)methyl]-5-nitro-3-oxidanyl-benzenesulfonate Openeye Name: 2-[[(2-chloroacetyl)amino]methyl]-3-hydroxy-5-nitro-benzenesulfonate CAS Name: 2-[[(2-chloro-1-oxoethyl)amino]methyl]-3-hydroxy-5-nitrobenzenesulfonate IUPAC Name: 2-[[(2-chloroacetyl)amino]methyl]-3-hydroxy-5-nitrobenzenesulfonate Traditional Name: 2-[[(2-chloroacetyl)amino]methyl]-3-hydroxy-5-nitro-besylate Formula: C9H8ClN2O7S- MolecularWeight: 323.68702

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1O)CNC(=O)CCl)S(=O)(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1O)CNC(=O)CCl)S(=O)(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H9ClN2O7S/c10-3-9(14)11-4-6-7(13)1-5(12(15)16)2-8(6)20(17,18)19/h1-2,13H,3-4H2,(H,11,14)(H,17,18,19)/p-1