ethyl 4-chloranyl-3-nitro-2-oxidanyl-5-sulfamoyl-benzoate

Systemtic Name: ethyl 4-chloranyl-3-nitro-2-oxidanyl-5-sulfamoyl-benzoate Openeye Name: ethyl 4-chloro-2-hydroxy-3-nitro-5-sulfamoyl-benzoate CAS Name: 4-chloro-2-hydroxy-3-nitro-5-sulfamoylbenzoic acid ethyl ester IUPAC Name: ethyl 4-chloro-2-hydroxy-3-nitro-5-sulfamoylbenzoate Traditional Name: 4-chloro-2-hydroxy-3-nitro-5-sulfamoyl-benzoic acid ethyl ester Formula: C9H9ClN2O7S MolecularWeight: 324.69496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1O)[N+](=O)[O-])Cl)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1O)[N+](=O)[O-])Cl)S(=O)(=O)N

InChI

InChI=1S/C9H9ClN2O7S/c1-2-19-9(14)4-3-5(20(11,17)18)6(10)7(8(4)13)12(15)16/h3,13H,2H2,1H3,(H2,11,17,18)