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

Systemtic Name: ethyl 4-chloranyl-3-nitro-5-sulfamoyl-benzoate Openeye Name: ethyl 4-chloro-3-nitro-5-sulfamoyl-benzoate CAS Name: 4-chloro-3-nitro-5-sulfamoylbenzoic acid ethyl ester IUPAC Name: ethyl 4-chloro-3-nitro-5-sulfamoylbenzoate Traditional Name: 4-chloro-3-nitro-5-sulfamoyl-benzoic acid ethyl ester Formula: C9H9ClN2O6S MolecularWeight: 308.69556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9ClN2O6S/c1-2-18-9(13)5-3-6(12(14)15)8(10)7(4-5)19(11,16)17/h3-4H,2H2,1H3,(H2,11,16,17)