methyl 4-(2-methylsulfonyloxyethylamino)-3-nitro-benzoate

Systemtic Name: methyl 4-(2-methylsulfonyloxyethylamino)-3-nitro-benzoate Openeye Name: methyl 4-(2-methylsulfonyloxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methylsulfonyloxyethylamino)-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(2-methylsulfonyloxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methylsulfonyloxyethylamino)-3-nitro-benzoic acid methyl ester Formula: C11H14N2O7S MolecularWeight: 318.30306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O7S/c1-19-11(14)8-3-4-9(10(7-8)13(15)16)12-5-6-20-21(2,17)18/h3-4,7,12H,5-6H2,1-2H3