N1,N1'-bis[3-[3-(dimethylaminomethyl)phenoxy]propyl]-2-nitro-ethene-1,1-diamine

Systemtic Name: N1,N1'-bis[3-[3-(dimethylaminomethyl)phenoxy]propyl]-2-nitro-ethene-1,1-diamine Openeye Name: N1,N1'-bis[3-[3-(dimethylaminomethyl)phenoxy]propyl]-2-nitro-ethene-1,1-diamine CAS Name: N1,N1'-bis[3-[3-(dimethylaminomethyl)phenoxy]propyl]-2-nitroethene-1,1-diamine IUPAC Name: 1-N,1-N'-bis[3-[3-(dimethylaminomethyl)phenoxy]propyl]-2-nitroethene-1,1-diamine Traditional Name: [3-[3-[[1-[3-[3-(dimethylaminomethyl)phenoxy]propylamino]-2-nitro-vinyl]amino]propoxy]benzyl]-dimethyl-amine Formula: C26H39N5O4 MolecularWeight: 485.61896

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC(=CC=C1)OCCCNC(=C[N+](=O)[O-])NCCCOC2=CC=CC(=C2)CN(C)C

Isomeric SMILES

CN(C)CC1=CC(=CC=C1)OCCCNC(=C[N+](=O)[O-])NCCCOC2=CC=CC(=C2)CN(C)C

InChI

InChI=1S/C26H39N5O4/c1-29(2)19-22-9-5-11-24(17-22)34-15-7-13-27-26(21-31(32)33)28-14-8-16-35-25-12-6-10-23(18-25)20-30(3)4/h5-6,9-12,17-18,21,27-28H,7-8,13-16,19-20H2,1-4H3