1-[(4-nitrophenyl)methoxycarbonylamino]-3-oxidanyl-propane-1,2-dithiolate

Systemtic Name: 1-[(4-nitrophenyl)methoxycarbonylamino]-3-oxidanyl-propane-1,2-dithiolate Openeye Name: 3-hydroxy-1-[(4-nitrophenyl)methoxycarbonylamino]propane-1,2-dithiolate CAS Name: 3-hydroxy-1-[[(4-nitrophenyl)methoxy-oxomethyl]amino]propane-1,2-dithiolate IUPAC Name: 3-hydroxy-1-[(4-nitrophenyl)methoxycarbonylamino]propane-1,2-dithiolate Traditional Name: 3-hydroxy-1-[(4-nitrobenzyl)oxycarbonylamino]propane-1,2-dithiolate Formula: C11H12N2O5S2-2 MolecularWeight: 316.35338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)NC(C(CO)[S-])[S-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)NC(C(CO)[S-])[S-])[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O5S2/c14-5-9(19)10(20)12-11(15)18-6-7-1-3-8(4-2-7)13(16)17/h1-4,9-10,14,19-20H,5-6H2,(H,12,15)/p-2