O-[(4-nitrophenyl)methyl] N-phenylcarbamothioate

Systemtic Name: O-[(4-nitrophenyl)methyl] N-phenylcarbamothioate Openeye Name: O-[(4-nitrophenyl)methyl] N-phenylcarbamothioate CAS Name: N-phenylcarbamothioic acid O-[(4-nitrophenyl)methyl] ester IUPAC Name: O-[(4-nitrophenyl)methyl] N-phenylcarbamothioate Traditional Name: N-phenylthiocarbamic acid O-(4-nitrobenzyl) ester Formula: C14H12N2O3S MolecularWeight: 288.32168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O3S/c17-16(18)13-8-6-11(7-9-13)10-19-14(20)15-12-4-2-1-3-5-12/h1-9H,10H2,(H,15,20)