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

Systemtic Name: O-(4-ethanoyl-2,6-dinitro-phenyl) N,N-diethylcarbamothioate Openeye Name: O-(4-acetyl-2,6-dinitro-phenyl) N,N-diethylcarbamothioate CAS Name: N,N-diethylcarbamothioic acid O-(4-acetyl-2,6-dinitrophenyl) ester IUPAC Name: O-(4-acetyl-2,6-dinitrophenyl) N,N-diethylcarbamothioate Traditional Name: N,N-diethylthiocarbamic acid O-(4-acetyl-2,6-dinitro-phenyl) ester Formula: C13H15N3O6S MolecularWeight: 341.3397

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O6S/c1-4-14(5-2)13(23)22-12-10(15(18)19)6-9(8(3)17)7-11(12)16(20)21/h6-7H,4-5H2,1-3H3