(2S)-3-(2-chloranyl-4-nitro-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: (2S)-3-(2-chloranyl-4-nitro-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-3-(2-chloro-4-nitro-phenyl)propanoic acid CAS Name: (2S)-3-(2-chloro-4-nitrophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-(2-chloro-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(2-chloro-4-nitro-phenyl)propionic acid Formula: C14H17ClN2O6 MolecularWeight: 344.74758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN2O6/c1-14(2,3)23-13(20)16-11(12(18)19)6-8-4-5-9(17(21)22)7-10(8)15/h4-5,7,11H,6H2,1-3H3,(H,16,20)(H,18,19)/t11-/m0/s1