N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-N',N'-dimethyl-ethanediamide

Systemtic Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-N',N'-dimethyl-ethanediamide Openeye Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-N',N'-dimethyl-oxamide CAS Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-N',N'-dimethyloxamide IUPAC Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-N',N'-dimethyloxamide Traditional Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-N',N'-dimethyl-oxamide Formula: C13H17N3O6S MolecularWeight: 343.35558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)C[N+](=O)[O-])C)NC(=O)C(=O)N(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)C[N+](=O)[O-])C)NC(=O)C(=O)N(C)C

InChI

InChI=1S/C13H17N3O6S/c1-8-5-10(14-12(17)13(18)15(3)4)6-9(2)11(8)23(21,22)7-16(19)20/h5-6H,7H2,1-4H3,(H,14,17)