N4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-N4-[(4-nitrophenyl)methyl]cyclohexane-1,4-diamine

Systemtic Name: N4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-N4-[(4-nitrophenyl)methyl]cyclohexane-1,4-diamine Openeye Name: N4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-N4-[(4-nitrophenyl)methyl]cyclohexane-1,4-diamine CAS Name: N4-[(4,5-dimethoxy-2-nitrophenyl)methyl]-N4-[(4-nitrophenyl)methyl]cyclohexane-1,4-diamine IUPAC Name: 4-N-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-N-[(4-nitrophenyl)methyl]cyclohexane-1,4-diamine Traditional Name: (4-aminocyclohexyl)-(4,5-dimethoxy-2-nitro-benzyl)-(4-nitrobenzyl)amine Formula: C22H28N4O6 MolecularWeight: 444.48092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN(CC2=CC=C(C=C2)[N+](=O)[O-])C3CCC(CC3)N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN(CC2=CC=C(C=C2)[N+](=O)[O-])C3CCC(CC3)N)[N+](=O)[O-])OC

InChI

InChI=1S/C22H28N4O6/c1-31-21-11-16(20(26(29)30)12-22(21)32-2)14-24(18-9-5-17(23)6-10-18)13-15-3-7-19(8-4-15)25(27)28/h3-4,7-8,11-12,17-18H,5-6,9-10,13-14,23H2,1-2H3