methyl 4-(4-methylphenyl)-2-nitro-5-sulfamoyl-benzoate

Systemtic Name: methyl 4-(4-methylphenyl)-2-nitro-5-sulfamoyl-benzoate Openeye Name: methyl 2-nitro-4-(p-tolyl)-5-sulfamoyl-benzoate CAS Name: 4-(4-methylphenyl)-2-nitro-5-sulfamoylbenzoic acid methyl ester IUPAC Name: methyl 4-(4-methylphenyl)-2-nitro-5-sulfamoylbenzoate Traditional Name: 2-nitro-4-(p-tolyl)-5-sulfamoyl-benzoic acid methyl ester Formula: C15H14N2O6S MolecularWeight: 350.34646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=C(C=C2S(=O)(=O)N)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=C(C=C2S(=O)(=O)N)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H14N2O6S/c1-9-3-5-10(6-4-9)11-7-13(17(19)20)12(15(18)23-2)8-14(11)24(16,21)22/h3-8H,1-2H3,(H2,16,21,22)