2-[[3-(2-nitrophenoxy)-2-oxidanyl-3-phenyl-propanoyl]amino]ethyl methanesulfonate

Systemtic Name: 2-[[3-(2-nitrophenoxy)-2-oxidanyl-3-phenyl-propanoyl]amino]ethyl methanesulfonate Openeye Name: 2-[[2-hydroxy-3-(2-nitrophenoxy)-3-phenyl-propanoyl]amino]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[[2-hydroxy-3-(2-nitrophenoxy)-1-oxo-3-phenylpropyl]amino]ethyl ester IUPAC Name: 2-[[2-hydroxy-3-(2-nitrophenoxy)-3-phenylpropanoyl]amino]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[[2-hydroxy-3-(2-nitrophenoxy)-3-phenyl-propanoyl]amino]ethyl ester Formula: C18H20N2O8S MolecularWeight: 424.425

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCNC(=O)C(C(C1=CC=CC=C1)OC2=CC=CC=C2[N+](=O)[O-])O

Isomeric SMILES

CS(=O)(=O)OCCNC(=O)C(C(C1=CC=CC=C1)OC2=CC=CC=C2[N+](=O)[O-])O

InChI

InChI=1S/C18H20N2O8S/c1-29(25,26)27-12-11-19-18(22)16(21)17(13-7-3-2-4-8-13)28-15-10-6-5-9-14(15)20(23)24/h2-10,16-17,21H,11-12H2,1H3,(H,19,22)