4-nitro-2-[[(5-nitro-2-oxidanyl-phenyl)methylamino]methyl]phenol

Systemtic Name: 4-nitro-2-[[(5-nitro-2-oxidanyl-phenyl)methylamino]methyl]phenol Openeye Name: 2-[[(2-hydroxy-5-nitro-phenyl)methylamino]methyl]-4-nitro-phenol CAS Name: 2-[[(2-hydroxy-5-nitrophenyl)methylamino]methyl]-4-nitrophenol IUPAC Name: 2-[[(2-hydroxy-5-nitrophenyl)methylamino]methyl]-4-nitrophenol Traditional Name: 2-[[(2-hydroxy-5-nitro-benzyl)amino]methyl]-4-nitro-phenol Formula: C14H13N3O6 MolecularWeight: 319.26952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])CNCC2=C(C=CC(=C2)[N+](=O)[O-])O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])CNCC2=C(C=CC(=C2)[N+](=O)[O-])O)O

InChI

InChI=1S/C14H13N3O6/c18-13-3-1-11(16(20)21)5-9(13)7-15-8-10-6-12(17(22)23)2-4-14(10)19/h1-6,15,18-19H,7-8H2