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

Systemtic Name: methyl 4-chloranyl-3-nitro-5-sulfamoyl-benzoate Openeye Name: methyl 4-chloro-3-nitro-5-sulfamoyl-benzoate CAS Name: 4-chloro-3-nitro-5-sulfamoylbenzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-nitro-5-sulfamoylbenzoate Traditional Name: 4-chloro-3-nitro-5-sulfamoyl-benzoic acid methyl ester Formula: C8H7ClN2O6S MolecularWeight: 294.66898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7ClN2O6S/c1-17-8(12)4-2-5(11(13)14)7(9)6(3-4)18(10,15)16/h2-3H,1H3,(H2,10,15,16)