N-methyl-N-(4-methylsulfonyl-2,6-dinitro-phenyl)propanamide

Systemtic Name: N-methyl-N-(4-methylsulfonyl-2,6-dinitro-phenyl)propanamide Openeye Name: N-methyl-N-(4-methylsulfonyl-2,6-dinitro-phenyl)propanamide CAS Name: N-methyl-N-(4-methylsulfonyl-2,6-dinitrophenyl)propanamide IUPAC Name: N-methyl-N-(4-methylsulfonyl-2,6-dinitrophenyl)propanamide Traditional Name: N-(4-mesyl-2,6-dinitro-phenyl)-N-methyl-propionamide Formula: C11H13N3O7S MolecularWeight: 331.30182

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)N(C)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O7S/c1-4-10(15)12(2)11-8(13(16)17)5-7(22(3,20)21)6-9(11)14(18)19/h5-6H,4H2,1-3H3