N-[di(propan-2-yloxy)phosphoryl-(4-methylsulfanylphenyl)methyl]-4-nitro-aniline

Systemtic Name: N-[di(propan-2-yloxy)phosphoryl-(4-methylsulfanylphenyl)methyl]-4-nitro-aniline Openeye Name: N-[diisopropoxyphosphoryl-(4-methylsulfanylphenyl)methyl]-4-nitro-aniline CAS Name: N-[di(propan-2-yloxy)phosphoryl-[4-(methylthio)phenyl]methyl]-4-nitroaniline IUPAC Name: N-[di(propan-2-yloxy)phosphoryl-(4-methylsulfanylphenyl)methyl]-4-nitroaniline Traditional Name: [diisopropoxyphosphoryl-[4-(methylthio)phenyl]methyl]-(4-nitrophenyl)amine Formula: C20H27N2O5PS MolecularWeight: 438.477541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N2O5PS/c1-14(2)26-28(25,27-15(3)4)20(16-6-12-19(29-5)13-7-16)21-17-8-10-18(11-9-17)22(23)24/h6-15,20-21H,1-5H3