2-nitro-1-(4-nitrophenyl)propane-1,3-diol

Systemtic Name: 2-nitro-1-(4-nitrophenyl)propane-1,3-diol Openeye Name: 2-nitro-1-(4-nitrophenyl)propane-1,3-diol CAS Name: 2-nitro-1-(4-nitrophenyl)propane-1,3-diol IUPAC Name: 2-nitro-1-(4-nitrophenyl)propane-1,3-diol Traditional Name: 2-nitro-1-(4-nitrophenyl)propane-1,3-diol Formula: C9H10N2O6 MolecularWeight: 242.1855

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C(CO)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(C(CO)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C9H10N2O6/c12-5-8(11(16)17)9(13)6-1-3-7(4-2-6)10(14)15/h1-4,8-9,12-13H,5H2