O-(2-chloranyl-6-ethanoyl-4-nitro-phenyl) N,N-diethylcarbamothioate

Systemtic Name: O-(2-chloranyl-6-ethanoyl-4-nitro-phenyl) N,N-diethylcarbamothioate Openeye Name: O-(2-acetyl-6-chloro-4-nitro-phenyl) N,N-diethylcarbamothioate CAS Name: N,N-diethylcarbamothioic acid O-(2-acetyl-6-chloro-4-nitrophenyl) ester IUPAC Name: O-(2-acetyl-6-chloro-4-nitrophenyl) N,N-diethylcarbamothioate Traditional Name: N,N-diethylthiocarbamic acid O-(2-acetyl-6-chloro-4-nitro-phenyl) ester Formula: C13H15ClN2O4S MolecularWeight: 330.7872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)OC1=C(C=C(C=C1C(=O)C)[N+](=O)[O-])Cl

Isomeric SMILES

CCN(CC)C(=S)OC1=C(C=C(C=C1C(=O)C)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H15ClN2O4S/c1-4-15(5-2)13(21)20-12-10(8(3)17)6-9(16(18)19)7-11(12)14/h6-7H,4-5H2,1-3H3