3,4,5-trimethoxy-N-(4-nitro-3-phenylmethoxy-phenyl)aniline

Systemtic Name: 3,4,5-trimethoxy-N-(4-nitro-3-phenylmethoxy-phenyl)aniline Openeye Name: N-(3-benzyloxy-4-nitro-phenyl)-3,4,5-trimethoxy-aniline CAS Name: 3,4,5-trimethoxy-N-(4-nitro-3-phenylmethoxyphenyl)aniline IUPAC Name: 3,4,5-trimethoxy-N-(4-nitro-3-phenylmethoxyphenyl)aniline Traditional Name: (3-benzoxy-4-nitro-phenyl)-(3,4,5-trimethoxyphenyl)amine Formula: C22H22N2O6 MolecularWeight: 410.41988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=CC(=C(C=C2)[N+](=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=CC(=C(C=C2)[N+](=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O6/c1-27-20-12-17(13-21(28-2)22(20)29-3)23-16-9-10-18(24(25)26)19(11-16)30-14-15-7-5-4-6-8-15/h4-13,23H,14H2,1-3H3