N-butyl-N-methyl-2-nitro-6-(3-oxidanylidenebut-1-en-2-yl)benzenesulfonamide

Systemtic Name: N-butyl-N-methyl-2-nitro-6-(3-oxidanylidenebut-1-en-2-yl)benzenesulfonamide Openeye Name: N-butyl-N-methyl-2-(1-methylene-2-oxo-propyl)-6-nitro-benzenesulfonamide CAS Name: N-butyl-N-methyl-2-nitro-6-(3-oxobut-1-en-2-yl)benzenesulfonamide IUPAC Name: N-butyl-N-methyl-2-nitro-6-(3-oxobut-1-en-2-yl)benzenesulfonamide Traditional Name: 2-(1-acetylvinyl)-N-butyl-N-methyl-6-nitro-benzenesulfonamide Formula: C15H20N2O5S MolecularWeight: 340.3947

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O5S/c1-5-6-10-16(4)23(21,22)15-13(11(2)12(3)18)8-7-9-14(15)17(19)20/h7-9H,2,5-6,10H2,1,3-4H3