3-[bis[(4-nitrophenyl)methoxy]phosphoryloxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: 3-[bis[(4-nitrophenyl)methoxy]phosphoryloxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: 3-[bis[(4-nitrophenyl)methoxy]phosphoryloxy]-2-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[bis[(4-nitrophenyl)methoxy]phosphoryloxy]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoate IUPAC Name: 3-[bis[(4-nitrophenyl)methoxy]phosphoryloxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-bis[(4-nitrobenzyl)oxy]phosphoryloxy-2-(tert-butoxycarbonylamino)propionate Formula: C22H25N3O12P- MolecularWeight: 554.420561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N3O12P/c1-22(2,3)37-21(28)23-19(20(26)27)14-36-38(33,34-12-15-4-8-17(9-5-15)24(29)30)35-13-16-6-10-18(11-7-16)25(31)32/h4-11,19H,12-14H2,1-3H3,(H,23,28)(H,26,27)/p-1