N-[diethoxyphosphoryl-(4-methylsulfanylphenyl)methyl]-4-methoxy-2-nitro-aniline

Systemtic Name: N-[diethoxyphosphoryl-(4-methylsulfanylphenyl)methyl]-4-methoxy-2-nitro-aniline Openeye Name: N-[diethoxyphosphoryl-(4-methylsulfanylphenyl)methyl]-4-methoxy-2-nitro-aniline CAS Name: N-[diethoxyphosphoryl-[4-(methylthio)phenyl]methyl]-4-methoxy-2-nitroaniline IUPAC Name: N-[diethoxyphosphoryl-(4-methylsulfanylphenyl)methyl]-4-methoxy-2-nitroaniline Traditional Name: [diethoxyphosphoryl-[4-(methylthio)phenyl]methyl]-(4-methoxy-2-nitro-phenyl)amine Formula: C19H25N2O6PS MolecularWeight: 440.450361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=CC=C(C=C1)SC)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])OCC

Isomeric SMILES

CCOP(=O)(C(C1=CC=C(C=C1)SC)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])OCC

InChI

InChI=1S/C19H25N2O6PS/c1-5-26-28(24,27-6-2)19(14-7-10-16(29-4)11-8-14)20-17-12-9-15(25-3)13-18(17)21(22)23/h7-13,19-20H,5-6H2,1-4H3