[1-(3,4-dimethoxyphenyl)-1-nitro-ethyl] hydrogen carbonate

Systemtic Name: [1-(3,4-dimethoxyphenyl)-1-nitro-ethyl] hydrogen carbonate Openeye Name: [1-(3,4-dimethoxyphenyl)-1-nitro-ethyl] hydrogen carbonate CAS Name: carbonic acid [1-(3,4-dimethoxyphenyl)-1-nitroethyl] ester IUPAC Name: [1-(3,4-dimethoxyphenyl)-1-nitroethyl] hydrogen carbonate Traditional Name: carbonic acid [1-(3,4-dimethoxyphenyl)-1-nitro-ethyl] ester Formula: C11H13NO7 MolecularWeight: 271.22342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO7/c1-11(12(15)16,19-10(13)14)7-4-5-8(17-2)9(6-7)18-3/h4-6H,1-3H3,(H,13,14)