(E)-N1'-[2-[1-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]cyclononyl]-2-nitro-ethene-1,1-diamine

Systemtic Name: (E)-N1'-[2-[1-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]cyclononyl]-2-nitro-ethene-1,1-diamine Openeye Name: (E)-N1'-[2-[1-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]cyclononyl]-2-nitro-ethene-1,1-diamine CAS Name: (E)-N1'-[2-[1-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethyl]cyclononyl]-2-nitroethene-1,1-diamine IUPAC Name: (E)-1-N'-[2-[1-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]cyclononyl]-2-nitroethene-1,1-diamine Traditional Name: [5-[[1-[2-[[(E)-1-amino-2-nitro-vinyl]amino]cyclononyl]ethylthio]methyl]-2-furyl]methyl-dimethyl-amine Formula: C21H36N4O3S MolecularWeight: 424.60054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCCCCC1NC(=C[N+](=O)[O-])N)SCC2=CC=C(O2)CN(C)C

Isomeric SMILES

CC(C1CCCCCCCC1N/C(=C/[N+](=O)[O-])/N)SCC2=CC=C(O2)CN(C)C

InChI

InChI=1S/C21H36N4O3S/c1-16(29-15-18-12-11-17(28-18)13-24(2)3)19-9-7-5-4-6-8-10-20(19)23-21(22)14-25(26)27/h11-12,14,16,19-20,23H,4-10,13,15,22H2,1-3H3/b21-14+