O-(4-ethanoyl-2-nitro-phenyl) N,N-diethylcarbamothioate

Systemtic Name: O-(4-ethanoyl-2-nitro-phenyl) N,N-diethylcarbamothioate Openeye Name: O-(4-acetyl-2-nitro-phenyl) N,N-diethylcarbamothioate CAS Name: N,N-diethylcarbamothioic acid O-(4-acetyl-2-nitrophenyl) ester IUPAC Name: O-(4-acetyl-2-nitrophenyl) N,N-diethylcarbamothioate Traditional Name: N,N-diethylthiocarbamic acid O-(4-acetyl-2-nitro-phenyl) ester Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)OC1=C(C=C(C=C1)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=S)OC1=C(C=C(C=C1)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O4S/c1-4-14(5-2)13(20)19-12-7-6-10(9(3)16)8-11(12)15(17)18/h6-8H,4-5H2,1-3H3