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

Systemtic Name: N-[diethoxyphosphoryl-(4-methylsulfanylphenyl)methyl]-2-methyl-4-nitro-aniline Openeye Name: N-[diethoxyphosphoryl-(4-methylsulfanylphenyl)methyl]-2-methyl-4-nitro-aniline CAS Name: N-[diethoxyphosphoryl-[4-(methylthio)phenyl]methyl]-2-methyl-4-nitroaniline IUPAC Name: N-[diethoxyphosphoryl-(4-methylsulfanylphenyl)methyl]-2-methyl-4-nitroaniline Traditional Name: [diethoxyphosphoryl-[4-(methylthio)phenyl]methyl]-(2-methyl-4-nitro-phenyl)amine Formula: C19H25N2O5PS MolecularWeight: 424.450961

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)[N+](=O)[O-])C)OCC

Isomeric SMILES

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

InChI

InChI=1S/C19H25N2O5PS/c1-5-25-27(24,26-6-2)19(15-7-10-17(28-4)11-8-15)20-18-12-9-16(21(22)23)13-14(18)3/h7-13,19-20H,5-6H2,1-4H3