methyl 5-nitro-2-sulfamoyl-benzoate

Systemtic Name: methyl 5-nitro-2-sulfamoyl-benzoate Openeye Name: methyl 5-nitro-2-sulfamoyl-benzoate CAS Name: 5-nitro-2-sulfamoylbenzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-sulfamoylbenzoate Traditional Name: 5-nitro-2-sulfamoyl-benzoic acid methyl ester Formula: C8H8N2O6S MolecularWeight: 260.22392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8N2O6S/c1-16-8(11)6-4-5(10(12)13)2-3-7(6)17(9,14)15/h2-4H,1H3,(H2,9,14,15)