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

Systemtic Name: 4-nitro-2-[[(5-nitro-2-oxidanyl-phenyl)amino]methyl]phenol Openeye Name: 2-[(2-hydroxy-5-nitro-anilino)methyl]-4-nitro-phenol CAS Name: 2-[(2-hydroxy-5-nitroanilino)methyl]-4-nitrophenol IUPAC Name: 2-[(2-hydroxy-5-nitroanilino)methyl]-4-nitrophenol Traditional Name: 2-[(2-hydroxy-5-nitro-anilino)methyl]-4-nitro-phenol Formula: C13H11N3O6 MolecularWeight: 305.24294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])CNC2=C(C=CC(=C2)[N+](=O)[O-])O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])CNC2=C(C=CC(=C2)[N+](=O)[O-])O)O

InChI

InChI=1S/C13H11N3O6/c17-12-3-1-9(15(19)20)5-8(12)7-14-11-6-10(16(21)22)2-4-13(11)18/h1-6,14,17-18H,7H2