O-[(3-nitrophenyl)methyl] N-ethylcarbamothioate

Systemtic Name: O-[(3-nitrophenyl)methyl] N-ethylcarbamothioate Openeye Name: O-[(3-nitrophenyl)methyl] N-ethylcarbamothioate CAS Name: N-ethylcarbamothioic acid O-[(3-nitrophenyl)methyl] ester IUPAC Name: O-[(3-nitrophenyl)methyl] N-ethylcarbamothioate Traditional Name: N-ethylthiocarbamic acid O-(3-nitrobenzyl) ester Formula: C10H12N2O3S MolecularWeight: 240.27888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)OCC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCNC(=S)OCC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C10H12N2O3S/c1-2-11-10(16)15-7-8-4-3-5-9(6-8)12(13)14/h3-6H,2,7H2,1H3,(H,11,16)