(4-acetamido-2,6-dimethyl-3-nitro-phenyl) methanesulfonate

Systemtic Name: (4-acetamido-2,6-dimethyl-3-nitro-phenyl) methanesulfonate Openeye Name: (4-acetamido-2,6-dimethyl-3-nitro-phenyl) methanesulfonate CAS Name: methanesulfonic acid (4-acetamido-2,6-dimethyl-3-nitrophenyl) ester IUPAC Name: (4-acetamido-2,6-dimethyl-3-nitrophenyl) methanesulfonate Traditional Name: methanesulfonic acid (4-acetamido-2,6-dimethyl-3-nitro-phenyl) ester Formula: C11H14N2O6S MolecularWeight: 302.30366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1OS(=O)(=O)C)C)[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CC1=CC(=C(C(=C1OS(=O)(=O)C)C)[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C11H14N2O6S/c1-6-5-9(12-8(3)14)10(13(15)16)7(2)11(6)19-20(4,17)18/h5H,1-4H3,(H,12,14)