(2,5-dimethoxyphenyl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: (2,5-dimethoxyphenyl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: (2,5-dimethoxyphenyl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid (2,5-dimethoxyphenyl)methyl ester IUPAC Name: (2,5-dimethoxyphenyl)methyl 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid (2,5-dimethoxybenzyl) ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C20H22N2O6/c1-26-16-6-8-19(27-2)14(11-16)13-28-20(23)17-12-15(22(24)25)5-7-18(17)21-9-3-4-10-21/h5-8,11-12H,3-4,9-10,13H2,1-2H3