(E)-N1'-(2,4-dimethoxyphenyl)-N1-(3-imidazol-1-ylpropyl)-2-nitro-ethene-1,1-diamine

Systemtic Name: (E)-N1'-(2,4-dimethoxyphenyl)-N1-(3-imidazol-1-ylpropyl)-2-nitro-ethene-1,1-diamine Openeye Name: (E)-N1'-(2,4-dimethoxyphenyl)-N1-(3-imidazol-1-ylpropyl)-2-nitro-ethene-1,1-diamine CAS Name: (E)-N1'-(2,4-dimethoxyphenyl)-N1-[3-(1-imidazolyl)propyl]-2-nitroethene-1,1-diamine IUPAC Name: (E)-1-N'-(2,4-dimethoxyphenyl)-1-N-(3-imidazol-1-ylpropyl)-2-nitroethene-1,1-diamine Traditional Name: [(E)-1-(2,4-dimethoxyanilino)-2-nitro-vinyl]-(3-imidazol-1-ylpropyl)amine Formula: C16H21N5O4 MolecularWeight: 347.36904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=C[N+](=O)[O-])NCCCN2C=CN=C2)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N/C(=C/[N+](=O)[O-])/NCCCN2C=CN=C2)OC

InChI

InChI=1S/C16H21N5O4/c1-24-13-4-5-14(15(10-13)25-2)19-16(11-21(22)23)18-6-3-8-20-9-7-17-12-20/h4-5,7,9-12,18-19H,3,6,8H2,1-2H3/b16-11+