2-nitro-4-[(3-nitro-4-oxidanyl-phenyl)methyl]phenol

Systemtic Name: 2-nitro-4-[(3-nitro-4-oxidanyl-phenyl)methyl]phenol Openeye Name: 4-[(4-hydroxy-3-nitro-phenyl)methyl]-2-nitro-phenol CAS Name: 4-[(4-hydroxy-3-nitrophenyl)methyl]-2-nitrophenol IUPAC Name: 4-[(4-hydroxy-3-nitrophenyl)methyl]-2-nitrophenol Traditional Name: 4-(4-hydroxy-3-nitro-benzyl)-2-nitro-phenol Formula: C13H10N2O6 MolecularWeight: 290.2283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC2=CC(=C(C=C2)O)[N+](=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1CC2=CC(=C(C=C2)O)[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C13H10N2O6/c16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21/h1-4,6-7,16-17H,5H2