(phenylmethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-nitro-4-oxidanyl-phenyl)propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-nitro-4-oxidanyl-phenyl)propanoate Openeye Name: benzyl (2S)-2-(tert-butoxycarbonylamino)-3-(4-hydroxy-3-nitro-phenyl)propanoate CAS Name: (2S)-3-(4-hydroxy-3-nitrophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-(4-hydroxy-3-nitrophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(4-hydroxy-3-nitro-phenyl)propionic acid benzyl ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1)O)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC(=C(C=C1)O)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O7/c1-21(2,3)30-20(26)22-16(19(25)29-13-14-7-5-4-6-8-14)11-15-9-10-18(24)17(12-15)23(27)28/h4-10,12,16,24H,11,13H2,1-3H3,(H,22,26)/t16-/m0/s1