methyl 4-methyl-2-nitro-5-sulfamoyl-benzoate

Systemtic Name: methyl 4-methyl-2-nitro-5-sulfamoyl-benzoate Openeye Name: methyl 4-methyl-2-nitro-5-sulfamoyl-benzoate CAS Name: 4-methyl-2-nitro-5-sulfamoylbenzoic acid methyl ester IUPAC Name: methyl 4-methyl-2-nitro-5-sulfamoylbenzoate Traditional Name: 4-methyl-2-nitro-5-sulfamoyl-benzoic acid methyl ester Formula: C9H10N2O6S MolecularWeight: 274.2505

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OC)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OC)S(=O)(=O)N

InChI

InChI=1S/C9H10N2O6S/c1-5-3-7(11(13)14)6(9(12)17-2)4-8(5)18(10,15)16/h3-4H,1-2H3,(H2,10,15,16)