2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-nitro-5-phenylmethoxy-phenyl)propanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-nitro-5-phenylmethoxy-phenyl)propanoic acid Openeye Name: 3-(5-benzyloxy-2-nitro-phenyl)-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(2-nitro-5-phenylmethoxyphenyl)propanoic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-nitro-5-phenylmethoxyphenyl)propanoic acid Traditional Name: 3-(5-benzoxy-2-nitro-phenyl)-2-(tert-butoxycarbonylamino)propionic acid Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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