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

Systemtic Name: (4-azanyl-2,6-dimethyl-3-nitro-phenyl) methanesulfonate Openeye Name: (4-amino-2,6-dimethyl-3-nitro-phenyl) methanesulfonate CAS Name: methanesulfonic acid (4-amino-2,6-dimethyl-3-nitrophenyl) ester IUPAC Name: (4-amino-2,6-dimethyl-3-nitrophenyl) methanesulfonate Traditional Name: methanesulfonic acid (4-amino-2,6-dimethyl-3-nitro-phenyl) ester Formula: C9H12N2O5S MolecularWeight: 260.26698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N2O5S/c1-5-4-7(10)8(11(12)13)6(2)9(5)16-17(3,14)15/h4H,10H2,1-3H3