2-[[cyclohexyl-[(3-nitro-2-oxidanyl-phenyl)methyl]amino]methyl]-6-nitro-phenol

Systemtic Name: 2-[[cyclohexyl-[(3-nitro-2-oxidanyl-phenyl)methyl]amino]methyl]-6-nitro-phenol Openeye Name: 2-[[cyclohexyl-[(2-hydroxy-3-nitro-phenyl)methyl]amino]methyl]-6-nitro-phenol CAS Name: 2-[[cyclohexyl-[(2-hydroxy-3-nitrophenyl)methyl]amino]methyl]-6-nitrophenol IUPAC Name: 2-[[cyclohexyl-[(2-hydroxy-3-nitrophenyl)methyl]amino]methyl]-6-nitrophenol Traditional Name: 2-[[cyclohexyl-(2-hydroxy-3-nitro-benzyl)amino]methyl]-6-nitro-phenol Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC2=C(C(=CC=C2)[N+](=O)[O-])O)CC3=C(C(=CC=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CCC(CC1)N(CC2=C(C(=CC=C2)[N+](=O)[O-])O)CC3=C(C(=CC=C3)[N+](=O)[O-])O

InChI

InChI=1S/C20H23N3O6/c24-19-14(6-4-10-17(19)22(26)27)12-21(16-8-2-1-3-9-16)13-15-7-5-11-18(20(15)25)23(28)29/h4-7,10-11,16,24-25H,1-3,8-9,12-13H2