[(1R,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenyl-propan-2-yl] 4-nitrobenzoate

Systemtic Name: [(1R,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenyl-propan-2-yl] 4-nitrobenzoate Openeye Name: [(1R,2R)-2-(tert-butoxycarbonylamino)-1-methyl-2-phenyl-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1R,2R)-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-phenylpropan-2-yl] ester IUPAC Name: [(1R,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R,2R)-2-(tert-butoxycarbonylamino)-1-methyl-2-phenyl-ethyl] ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)NC(=O)OC(C)(C)C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H]([C@@H](C1=CC=CC=C1)NC(=O)OC(C)(C)C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O6/c1-14(28-19(24)16-10-12-17(13-11-16)23(26)27)18(15-8-6-5-7-9-15)22-20(25)29-21(2,3)4/h5-14,18H,1-4H3,(H,22,25)/t14-,18+/m1/s1