nitromethylbenzene; 1-nitropropane-1,2,3-triol

Systemtic Name: nitromethylbenzene; 1-nitropropane-1,2,3-triol Openeye Name: nitromethylbenzene; 1-nitropropane-1,2,3-triol CAS Name: nitromethylbenzene; 1-nitropropane-1,2,3-triol IUPAC Name: nitromethylbenzene; 1-nitropropane-1,2,3-triol Traditional Name: nitromethylbenzene; 1-nitropropane-1,2,3-triol Formula: C10H14N2O7 MolecularWeight: 274.22736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7NO2.C3H7NO5/c9-8(10)6-7-4-2-1-3-5-7;5-1-2(6)3(7)4(8)9/h1-5H,6H2;2-3,5-7H,1H2