2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(2-nitrophenyl)ethoxy]ethyl methanesulfonate

Systemtic Name: 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(2-nitrophenyl)ethoxy]ethyl methanesulfonate Openeye Name: 2-[2-(tert-butoxycarbonylamino)-1-(2-nitrophenyl)ethoxy]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-(2-nitrophenyl)ethoxy]ethyl ester IUPAC Name: 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(2-nitrophenyl)ethoxy]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[2-(tert-butoxycarbonylamino)-1-(2-nitrophenyl)ethoxy]ethyl ester Formula: C16H24N2O8S MolecularWeight: 404.43536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(C1=CC=CC=C1[N+](=O)[O-])OCCOS(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)NCC(C1=CC=CC=C1[N+](=O)[O-])OCCOS(=O)(=O)C

InChI

InChI=1S/C16H24N2O8S/c1-16(2,3)26-15(19)17-11-14(24-9-10-25-27(4,22)23)12-7-5-6-8-13(12)18(20)21/h5-8,14H,9-11H2,1-4H3,(H,17,19)