O-ethyl N-(3,5-dinitrophenyl)carbonylcarbamothioate

Systemtic Name: O-ethyl N-(3,5-dinitrophenyl)carbonylcarbamothioate Openeye Name: O-ethyl N-(3,5-dinitrobenzoyl)carbamothioate CAS Name: N-[(3,5-dinitrophenyl)-oxomethyl]carbamothioic acid O-ethyl ester IUPAC Name: O-ethyl N-(3,5-dinitrobenzoyl)carbamothioate Traditional Name: N-(3,5-dinitrobenzoyl)thiocarbamic acid O-ethyl ester Formula: C10H9N3O6S MolecularWeight: 299.25996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=S)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H9N3O6S/c1-2-19-10(20)11-9(14)6-3-7(12(15)16)5-8(4-6)13(17)18/h3-5H,2H2,1H3,(H,11,14,20)