N-(4-methylsulfonyl-2,6-dinitro-phenyl)butanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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