N,N-diethyl-3-nitro-4-(2-oxidanylidenepropoxy)benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-(2-oxidanylidenepropoxy)benzenesulfonamide Openeye Name: 4-acetonyloxy-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-(2-oxopropoxy)benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-(2-oxopropoxy)benzenesulfonamide Traditional Name: 4-acetonyloxy-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C13H18N2O6S MolecularWeight: 330.35682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O6S/c1-4-14(5-2)22(19,20)11-6-7-13(21-9-10(3)16)12(8-11)15(17)18/h6-8H,4-5,9H2,1-3H3