2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanesulfonic acid

Systemtic Name: 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanesulfonic acid Openeye Name: 2-[(4-chloro-3-nitro-benzoyl)amino]ethanesulfonic acid CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]ethanesulfonic acid IUPAC Name: 2-[(4-chloro-3-nitrobenzoyl)amino]ethanesulfonic acid Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)amino]ethanesulfonic acid Formula: C9H9ClN2O6S MolecularWeight: 308.69556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NCCS(=O)(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NCCS(=O)(=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C9H9ClN2O6S/c10-7-2-1-6(5-8(7)12(14)15)9(13)11-3-4-19(16,17)18/h1-2,5H,3-4H2,(H,11,13)(H,16,17,18)