(3,4-dimethoxyphenyl) 4-nitrobutanoate

Systemtic Name: (3,4-dimethoxyphenyl) 4-nitrobutanoate Openeye Name: (3,4-dimethoxyphenyl) 4-nitrobutanoate CAS Name: 4-nitrobutanoic acid (3,4-dimethoxyphenyl) ester IUPAC Name: (3,4-dimethoxyphenyl) 4-nitrobutanoate Traditional Name: 4-nitrobutyric acid (3,4-dimethoxyphenyl) ester Formula: C12H15NO6 MolecularWeight: 269.2506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO6/c1-17-10-6-5-9(8-11(10)18-2)19-12(14)4-3-7-13(15)16/h5-6,8H,3-4,7H2,1-2H3