2-[[[3,5-bis[(5-nitro-2-oxidanyl-phenyl)methylamino]cyclohexyl]amino]methyl]-4-nitro-phenol

Systemtic Name: 2-[[[3,5-bis[(5-nitro-2-oxidanyl-phenyl)methylamino]cyclohexyl]amino]methyl]-4-nitro-phenol Openeye Name: 2-[[[3,5-bis[(2-hydroxy-5-nitro-phenyl)methylamino]cyclohexyl]amino]methyl]-4-nitro-phenol CAS Name: 2-[[[3,5-bis[(2-hydroxy-5-nitrophenyl)methylamino]cyclohexyl]amino]methyl]-4-nitrophenol IUPAC Name: 2-[[[3,5-bis[(2-hydroxy-5-nitrophenyl)methylamino]cyclohexyl]amino]methyl]-4-nitrophenol Traditional Name: 2-[[[3,5-bis[(2-hydroxy-5-nitro-benzyl)amino]cyclohexyl]amino]methyl]-4-nitro-phenol Formula: C27H30N6O9 MolecularWeight: 582.5619

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(CC1NCC2=C(C=CC(=C2)[N+](=O)[O-])O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O)NCC4=C(C=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

C1C(CC(CC1NCC2=C(C=CC(=C2)[N+](=O)[O-])O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O)NCC4=C(C=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C27H30N6O9/c34-25-4-1-22(31(37)38)7-16(25)13-28-19-10-20(29-14-17-8-23(32(39)40)2-5-26(17)35)12-21(11-19)30-15-18-9-24(33(41)42)3-6-27(18)36/h1-9,19-21,28-30,34-36H,10-15H2