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

Systemtic Name: 2-nitro-6-[[(3-nitro-2-oxidanyl-phenyl)methyl-phenyl-amino]methyl]phenol chloride Openeye Name: 2-[[N-[(2-hydroxy-3-nitro-phenyl)methyl]anilino]methyl]-6-nitro-phenol chloride CAS Name: 2-[[N-[(2-hydroxy-3-nitrophenyl)methyl]anilino]methyl]-6-nitrophenol chloride IUPAC Name: 2-[[N-[(2-hydroxy-3-nitrophenyl)methyl]anilino]methyl]-6-nitrophenol chloride Traditional Name: 2-[(N-(2-hydroxy-3-nitro-benzyl)anilino)methyl]-6-nitro-phenol chloride Formula: C20H17ClN3O6- MolecularWeight: 430.81848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC2=C(C(=CC=C2)[N+](=O)[O-])O)CC3=C(C(=CC=C3)[N+](=O)[O-])O.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)N(CC2=C(C(=CC=C2)[N+](=O)[O-])O)CC3=C(C(=CC=C3)[N+](=O)[O-])O.[Cl-]

InChI

InChI=1S/C20H17N3O6.ClH/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;/h1-11,24-25H,12-13H2;1H/p-1