[1-(3,5-dimethoxy-4-oxidanyl-phenyl)-3-nitrooxy-propan-2-yl] nitrate

Systemtic Name: [1-(3,5-dimethoxy-4-oxidanyl-phenyl)-3-nitrooxy-propan-2-yl] nitrate Openeye Name: [1-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]-2-nitrooxy-ethyl] nitrate CAS Name: nitric acid [1-(4-hydroxy-3,5-dimethoxyphenyl)-3-nitrooxypropan-2-yl] ester IUPAC Name: [1-(4-hydroxy-3,5-dimethoxyphenyl)-3-nitrooxypropan-2-yl] nitrate Traditional Name: nitric acid [1-(4-hydroxy-3,5-dimethoxy-benzyl)-2-nitrooxy-ethyl] ester Formula: C11H14N2O9 MolecularWeight: 318.23686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CC(CO[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CC(CO[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O9/c1-19-9-4-7(5-10(20-2)11(9)14)3-8(22-13(17)18)6-21-12(15)16/h4-5,8,14H,3,6H2,1-2H3