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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-nitro-propane-1,3-diol Openeye Name: 1-(3,4-dimethoxyphenyl)-2-nitro-propane-1,3-diol CAS Name: 1-(3,4-dimethoxyphenyl)-2-nitropropane-1,3-diol IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-nitropropane-1,3-diol Traditional Name: 1-(3,4-dimethoxyphenyl)-2-nitro-propane-1,3-diol Formula: C11H15NO6 MolecularWeight: 257.2399

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C(CO)[N+](=O)[O-])O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C(CO)[N+](=O)[O-])O)OC

InChI

InChI=1S/C11H15NO6/c1-17-9-4-3-7(5-10(9)18-2)11(14)8(6-13)12(15)16/h3-5,8,11,13-14H,6H2,1-2H3