N-[di(propan-2-yloxy)phosphoryl-(4-methylsulfanylphenyl)methyl]-4-methyl-3-nitro-aniline

Systemtic Name: N-[di(propan-2-yloxy)phosphoryl-(4-methylsulfanylphenyl)methyl]-4-methyl-3-nitro-aniline Openeye Name: N-[diisopropoxyphosphoryl-(4-methylsulfanylphenyl)methyl]-4-methyl-3-nitro-aniline CAS Name: N-[di(propan-2-yloxy)phosphoryl-[4-(methylthio)phenyl]methyl]-4-methyl-3-nitroaniline IUPAC Name: N-[di(propan-2-yloxy)phosphoryl-(4-methylsulfanylphenyl)methyl]-4-methyl-3-nitroaniline Traditional Name: [diisopropoxyphosphoryl-[4-(methylthio)phenyl]methyl]-(4-methyl-3-nitro-phenyl)amine Formula: C21H29N2O5PS MolecularWeight: 452.504121

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(C2=CC=C(C=C2)SC)P(=O)(OC(C)C)OC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(C2=CC=C(C=C2)SC)P(=O)(OC(C)C)OC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H29N2O5PS/c1-14(2)27-29(26,28-15(3)4)21(17-8-11-19(30-6)12-9-17)22-18-10-7-16(5)20(13-18)23(24)25/h7-15,21-22H,1-6H3