N,N-dimethyl-2-nitro-6-(3-oxidanylidenebut-1-en-2-yl)benzenesulfonamide

Systemtic Name: N,N-dimethyl-2-nitro-6-(3-oxidanylidenebut-1-en-2-yl)benzenesulfonamide Openeye Name: N,N-dimethyl-2-(1-methylene-2-oxo-propyl)-6-nitro-benzenesulfonamide CAS Name: N,N-dimethyl-2-nitro-6-(3-oxobut-1-en-2-yl)benzenesulfonamide IUPAC Name: N,N-dimethyl-2-nitro-6-(3-oxobut-1-en-2-yl)benzenesulfonamide Traditional Name: 2-(1-acetylvinyl)-N,N-dimethyl-6-nitro-benzenesulfonamide Formula: C12H14N2O5S MolecularWeight: 298.31496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O5S/c1-8(9(2)15)10-6-5-7-11(14(16)17)12(10)20(18,19)13(3)4/h5-7H,1H2,2-4H3