tert-butyl N-[1-[bis[(4-nitrophenyl)methoxy]phosphorylmethylamino]-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[bis[(4-nitrophenyl)methoxy]phosphorylmethylamino]-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[bis[(4-nitrophenyl)methoxy]phosphorylmethylcarbamoyl]propyl]carbamate CAS Name: N-[1-[bis[(4-nitrophenyl)methoxy]phosphorylmethylamino]-1-oxobutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[bis[(4-nitrophenyl)methoxy]phosphorylmethylamino]-1-oxobutan-2-yl]carbamate Traditional Name: N-[1-[bis[(4-nitrobenzyl)oxy]phosphorylmethylcarbamoyl]propyl]carbamic acid tert-butyl ester Formula: C24H31N4O10P MolecularWeight: 566.497501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N4O10P/c1-5-21(26-23(30)38-24(2,3)4)22(29)25-16-39(35,36-14-17-6-10-19(11-7-17)27(31)32)37-15-18-8-12-20(13-9-18)28(33)34/h6-13,21H,5,14-16H2,1-4H3,(H,25,29)(H,26,30)