N4-[(4-methoxy-3-nitro-phenyl)methyl]-N4-[(4-nitrophenyl)methyl]cyclohexane-1,4-diamine

Systemtic Name: N4-[(4-methoxy-3-nitro-phenyl)methyl]-N4-[(4-nitrophenyl)methyl]cyclohexane-1,4-diamine Openeye Name: N4-[(4-methoxy-3-nitro-phenyl)methyl]-N4-[(4-nitrophenyl)methyl]cyclohexane-1,4-diamine CAS Name: N4-[(4-methoxy-3-nitrophenyl)methyl]-N4-[(4-nitrophenyl)methyl]cyclohexane-1,4-diamine IUPAC Name: 4-N-[(4-methoxy-3-nitrophenyl)methyl]-4-N-[(4-nitrophenyl)methyl]cyclohexane-1,4-diamine Traditional Name: (4-aminocyclohexyl)-(4-methoxy-3-nitro-benzyl)-(4-nitrobenzyl)amine Formula: C21H26N4O5 MolecularWeight: 414.45494

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O5/c1-30-21-11-4-16(12-20(21)25(28)29)14-23(18-9-5-17(22)6-10-18)13-15-2-7-19(8-3-15)24(26)27/h2-4,7-8,11-12,17-18H,5-6,9-10,13-14,22H2,1H3