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

Systemtic Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-N',N'-diethyl-ethanediamide Openeye Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-N',N'-diethyl-oxamide CAS Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-N',N'-diethyloxamide IUPAC Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-N',N'-diethyloxamide Traditional Name: N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-N',N'-diethyl-oxamide Formula: C15H21N3O6S MolecularWeight: 371.40874

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(=O)NC1=CC(=C(C(=C1)C)S(=O)(=O)C[N+](=O)[O-])C

Isomeric SMILES

CCN(CC)C(=O)C(=O)NC1=CC(=C(C(=C1)C)S(=O)(=O)C[N+](=O)[O-])C

InChI

InChI=1S/C15H21N3O6S/c1-5-17(6-2)15(20)14(19)16-12-7-10(3)13(11(4)8-12)25(23,24)9-18(21)22/h7-8H,5-6,9H2,1-4H3,(H,16,19)