ethyl N-[[methyl-(4-methylphenyl)sulfonyl-amino]methyl]-N-nitro-carbamate

Systemtic Name: ethyl N-[[methyl-(4-methylphenyl)sulfonyl-amino]methyl]-N-nitro-carbamate Openeye Name: ethyl N-[[methyl(p-tolylsulfonyl)amino]methyl]-N-nitro-carbamate CAS Name: N-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-nitrocarbamic acid ethyl ester IUPAC Name: ethyl N-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-nitrocarbamate Traditional Name: N-[[methyl(tosyl)amino]methyl]-N-nitro-carbamic acid ethyl ester Formula: C12H17N3O6S MolecularWeight: 331.34488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(CN(C)S(=O)(=O)C1=CC=C(C=C1)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N(CN(C)S(=O)(=O)C1=CC=C(C=C1)C)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O6S/c1-4-21-12(16)14(15(17)18)9-13(3)22(19,20)11-7-5-10(2)6-8-11/h5-8H,4,9H2,1-3H3