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

Systemtic Name: 3-[bis[(4-nitrophenyl)methoxy]phosphoryloxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: 3-[bis[(4-nitrophenyl)methoxy]phosphoryloxy]-2-(tert-butoxycarbonylamino)butanoate CAS Name: 3-[bis[(4-nitrophenyl)methoxy]phosphoryloxy]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoate IUPAC Name: 3-[bis[(4-nitrophenyl)methoxy]phosphoryloxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 3-bis[(4-nitrobenzyl)oxy]phosphoryloxy-2-(tert-butoxycarbonylamino)butyrate Formula: C23H27N3O12P- MolecularWeight: 568.447141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N3O12P/c1-15(20(21(27)28)24-22(29)37-23(2,3)4)38-39(34,35-13-16-5-9-18(10-6-16)25(30)31)36-14-17-7-11-19(12-8-17)26(32)33/h5-12,15,20H,13-14H2,1-4H3,(H,24,29)(H,27,28)/p-1