sodium 2-[(4-nitrophenyl)methoxycarbonylamino]ethanesulfonate

Systemtic Name: sodium 2-[(4-nitrophenyl)methoxycarbonylamino]ethanesulfonate Openeye Name: sodium 2-[(4-nitrophenyl)methoxycarbonylamino]ethanesulfonate CAS Name: sodium 2-[[(4-nitrophenyl)methoxy-oxomethyl]amino]ethanesulfonate IUPAC Name: sodium 2-[(4-nitrophenyl)methoxycarbonylamino]ethanesulfonate Traditional Name: sodium 2-[(4-nitrobenzyl)oxycarbonylamino]ethanesulfonate Formula: C10H11N2NaO7S MolecularWeight: 326.25831

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)NCCS(=O)(=O)[O-])[N+](=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)NCCS(=O)(=O)[O-])[N+](=O)[O-].[Na+]

InChI

InChI=1S/C10H12N2O7S.Na/c13-10(11-5-6-20(16,17)18)19-7-8-1-3-9(4-2-8)12(14)15;/h1-4H,5-7H2,(H,11,13)(H,16,17,18);/q;+1/p-1