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

Systemtic Name: 2-[(2-chloranylethanoylamino)methyl]-5-nitro-3-oxidanyl-benzenesulfonic acid Openeye Name: 2-[[(2-chloroacetyl)amino]methyl]-3-hydroxy-5-nitro-benzenesulfonic acid CAS Name: 2-[[(2-chloro-1-oxoethyl)amino]methyl]-3-hydroxy-5-nitrobenzenesulfonic acid IUPAC Name: 2-[[(2-chloroacetyl)amino]methyl]-3-hydroxy-5-nitrobenzenesulfonic acid Traditional Name: 2-[[(2-chloroacetyl)amino]methyl]-3-hydroxy-5-nitro-besylic acid Formula: C9H9ClN2O7S MolecularWeight: 324.69496

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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)