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2-[(4-nitrophenyl)methoxycarbonylamino]ethanesulfonic acid

2-[(4-nitrophenyl)methoxycarbonylamino]ethanesulfonic acid

Systemtic Name:2-[(4-nitrophenyl)methoxycarbonylamino]ethanesulfonic acid
Openeye Name:2-[(4-nitrophenyl)methoxycarbonylamino]ethanesulfonic acid
CAS Name:2-[[(4-nitrophenyl)methoxy-oxomethyl]amino]ethanesulfonic acid
IUPAC Name:2-[(4-nitrophenyl)methoxycarbonylamino]ethanesulfonic acid
Traditional Name:2-[(4-nitrobenzyl)oxycarbonylamino]ethanesulfonic acid
Formula: C10H12N2O7S
MolecularWeight: 304.27648
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C10H12N2O7S/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)


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