N-[diethoxyphosphoryl-(3,4,5-trimethoxyphenyl)methyl]-4-nitro-aniline

Systemtic Name: N-[diethoxyphosphoryl-(3,4,5-trimethoxyphenyl)methyl]-4-nitro-aniline Openeye Name: N-[diethoxyphosphoryl-(3,4,5-trimethoxyphenyl)methyl]-4-nitro-aniline CAS Name: N-[diethoxyphosphoryl-(3,4,5-trimethoxyphenyl)methyl]-4-nitroaniline IUPAC Name: N-[diethoxyphosphoryl-(3,4,5-trimethoxyphenyl)methyl]-4-nitroaniline Traditional Name: [diethoxyphosphoryl-(3,4,5-trimethoxyphenyl)methyl]-(4-nitrophenyl)amine Formula: C20H27N2O8P MolecularWeight: 454.410741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N2O8P/c1-6-29-31(25,30-7-2)20(21-15-8-10-16(11-9-15)22(23)24)14-12-17(26-3)19(28-5)18(13-14)27-4/h8-13,20-21H,6-7H2,1-5H3