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

Systemtic Name: N-[diethoxyphosphoryl-(4-methylsulfanylphenyl)methyl]-4-nitro-aniline Openeye Name: N-[diethoxyphosphoryl-(4-methylsulfanylphenyl)methyl]-4-nitro-aniline CAS Name: N-[diethoxyphosphoryl-[4-(methylthio)phenyl]methyl]-4-nitroaniline IUPAC Name: N-[diethoxyphosphoryl-(4-methylsulfanylphenyl)methyl]-4-nitroaniline Traditional Name: [diethoxyphosphoryl-[4-(methylthio)phenyl]methyl]-(4-nitrophenyl)amine Formula: C18H23N2O5PS MolecularWeight: 410.424381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N2O5PS/c1-4-24-26(23,25-5-2)18(14-6-12-17(27-3)13-7-14)19-15-8-10-16(11-9-15)20(21)22/h6-13,18-19H,4-5H2,1-3H3