N-[diethoxyphosphoryl-(4-methylsulfanylphenyl)methyl]-4-methyl-3-nitro-aniline

Systemtic Name: N-[diethoxyphosphoryl-(4-methylsulfanylphenyl)methyl]-4-methyl-3-nitro-aniline Openeye Name: N-[diethoxyphosphoryl-(4-methylsulfanylphenyl)methyl]-4-methyl-3-nitro-aniline CAS Name: N-[diethoxyphosphoryl-[4-(methylthio)phenyl]methyl]-4-methyl-3-nitroaniline IUPAC Name: N-[diethoxyphosphoryl-(4-methylsulfanylphenyl)methyl]-4-methyl-3-nitroaniline Traditional Name: [diethoxyphosphoryl-[4-(methylthio)phenyl]methyl]-(4-methyl-3-nitro-phenyl)amine Formula: C19H25N2O5PS MolecularWeight: 424.450961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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