methyl (2S)-3-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-[(4-nitrophenyl)methoxycarbonylamino]propanoate

Systemtic Name: methyl (2S)-3-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-[(4-nitrophenyl)methoxycarbonylamino]propanoate Openeye Name: methyl (2S)-3-tert-butoxycarbonyloxy-2-[(4-nitrophenyl)methoxycarbonylamino]propanoate CAS Name: (2S)-3-[(2-methylpropan-2-yl)oxy-oxomethoxy]-2-[[(4-nitrophenyl)methoxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-[(4-nitrophenyl)methoxycarbonylamino]propanoate Traditional Name: (2S)-3-tert-butoxycarbonyloxy-2-[(4-nitrobenzyl)oxycarbonylamino]propionic acid methyl ester Formula: C17H22N2O9 MolecularWeight: 398.36458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)OCC(C(=O)OC)NC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)OC[C@@H](C(=O)OC)NC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O9/c1-17(2,3)28-16(22)27-10-13(14(20)25-4)18-15(21)26-9-11-5-7-12(8-6-11)19(23)24/h5-8,13H,9-10H2,1-4H3,(H,18,21)/t13-/m0/s1