N-[4-[(E)-2-(dioxidanyl)ethenyl]sulfonyl-3,5-dinitro-phenyl]-2,2-dimethyl-butanamide

Systemtic Name: N-[4-[(E)-2-(dioxidanyl)ethenyl]sulfonyl-3,5-dinitro-phenyl]-2,2-dimethyl-butanamide Openeye Name: N-[4-[(E)-2-hydroperoxyvinyl]sulfonyl-3,5-dinitro-phenyl]-2,2-dimethyl-butanamide CAS Name: N-[4-[(E)-2-hydroperoxyethenyl]sulfonyl-3,5-dinitrophenyl]-2,2-dimethylbutanamide IUPAC Name: N-[4-[(E)-2-hydroperoxyethenyl]sulfonyl-3,5-dinitrophenyl]-2,2-dimethylbutanamide Traditional Name: N-[4-[(E)-2-hydroperoxyvinyl]sulfonyl-3,5-dinitro-phenyl]-2,2-dimethyl-butyramide Formula: C14H17N3O9S MolecularWeight: 403.36448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C)(C)C(=O)NC1=CC(=C(C(=C1)[N+](=O)[O-])S(=O)(=O)/C=C/OO)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O9S/c1-4-14(2,3)13(18)15-9-7-10(16(19)20)12(11(8-9)17(21)22)27(24,25)6-5-26-23/h5-8,23H,4H2,1-3H3,(H,15,18)/b6-5+