[4-[[(4-methoxy-3-nitro-phenyl)methyl-[(4-nitrophenyl)methyl]amino]methyl]cyclohexyl]methanamine

Systemtic Name: [4-[[(4-methoxy-3-nitro-phenyl)methyl-[(4-nitrophenyl)methyl]amino]methyl]cyclohexyl]methanamine Openeye Name: [4-[[(4-methoxy-3-nitro-phenyl)methyl-[(4-nitrophenyl)methyl]amino]methyl]cyclohexyl]methanamine CAS Name: [4-[[(4-methoxy-3-nitrophenyl)methyl-[(4-nitrophenyl)methyl]amino]methyl]cyclohexyl]methanamine IUPAC Name: [4-[[(4-methoxy-3-nitrophenyl)methyl-[(4-nitrophenyl)methyl]amino]methyl]cyclohexyl]methanamine Traditional Name: [4-(aminomethyl)cyclohexyl]methyl-(4-methoxy-3-nitro-benzyl)-(4-nitrobenzyl)amine Formula: C23H30N4O5 MolecularWeight: 442.5081

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2CCC(CC2)CN)CC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2CCC(CC2)CN)CC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H30N4O5/c1-32-23-11-8-20(12-22(23)27(30)31)16-25(14-18-4-2-17(13-24)3-5-18)15-19-6-9-21(10-7-19)26(28)29/h6-12,17-18H,2-5,13-16,24H2,1H3