tert-butyl (2S,3R)-3-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-nitro-propanoate

Systemtic Name: tert-butyl (2S,3R)-3-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-nitro-propanoate Openeye Name: tert-butyl (2S,3R)-3-(tert-butoxycarbonylamino)-3-(4-chlorophenyl)-2-nitro-propanoate CAS Name: (2S,3R)-3-(4-chlorophenyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-nitropropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R)-3-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-nitropropanoate Traditional Name: (2S,3R)-3-(tert-butoxycarbonylamino)-3-(4-chlorophenyl)-2-nitro-propionic acid tert-butyl ester Formula: C18H25ClN2O6 MolecularWeight: 400.8539

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN2O6/c1-17(2,3)26-15(22)14(21(24)25)13(11-7-9-12(19)10-8-11)20-16(23)27-18(4,5)6/h7-10,13-14H,1-6H3,(H,20,23)/t13-,14+/m1/s1