(phenylmethyl) N-[dibutoxyphosphoryl-(4-nitrophenyl)methyl]carbamate

Systemtic Name: (phenylmethyl) N-[dibutoxyphosphoryl-(4-nitrophenyl)methyl]carbamate Openeye Name: benzyl N-[dibutoxyphosphoryl-(4-nitrophenyl)methyl]carbamate CAS Name: N-[dibutoxyphosphoryl-(4-nitrophenyl)methyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[dibutoxyphosphoryl-(4-nitrophenyl)methyl]carbamate Traditional Name: N-[dibutoxyphosphoryl-(4-nitrophenyl)methyl]carbamic acid benzyl ester Formula: C23H31N2O7P MolecularWeight: 478.475201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOP(=O)(C(C1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2)OCCCC

Isomeric SMILES

CCCCOP(=O)(C(C1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2)OCCCC

InChI

InChI=1S/C23H31N2O7P/c1-3-5-16-31-33(29,32-17-6-4-2)22(20-12-14-21(15-13-20)25(27)28)24-23(26)30-18-19-10-8-7-9-11-19/h7-15,22H,3-6,16-18H2,1-2H3,(H,24,26)