(3-azanyl-2-ethyl-6-nitro-phenyl) methanesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1OS(=O)(=O)C)[N+](=O)[O-])N

Isomeric SMILES

CCC1=C(C=CC(=C1OS(=O)(=O)C)[N+](=O)[O-])N

InChI

InChI=1S/C9H12N2O5S/c1-3-6-7(10)4-5-8(11(12)13)9(6)16-17(2,14)15/h4-5H,3,10H2,1-2H3