(4-nitrophenyl)methyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (4-nitrophenyl)methyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (4-nitrophenyl)methyl (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid (4-nitrobenzyl) ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O6/c1-14(2)18(21-20(24)28-13-15-6-4-3-5-7-15)19(23)27-12-16-8-10-17(11-9-16)22(25)26/h3-11,14,18H,12-13H2,1-2H3,(H,21,24)/t18-/m0/s1