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

Systemtic Name: (2R)-2-(4-chloranyl-3-nitro-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: (2R)-2-(tert-butoxycarbonylamino)-2-(4-chloro-3-nitro-phenyl)propanoic acid CAS Name: (2R)-2-(4-chloro-3-nitrophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: (2R)-2-(4-chloro-3-nitrophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: (2R)-2-(tert-butoxycarbonylamino)-2-(4-chloro-3-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(C)(C1=CC(=C(C=C1)Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN2O6/c1-13(2,3)23-12(20)16-14(4,11(18)19)8-5-6-9(15)10(7-8)17(21)22/h5-7H,1-4H3,(H,16,20)(H,18,19)/t14-/m1/s1