(2,5-dimethoxyphenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: (2,5-dimethoxyphenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (2,5-dimethoxyphenyl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (2,5-dimethoxyphenyl)methyl ester IUPAC Name: (2,5-dimethoxyphenyl)methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-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=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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