1-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2-nitrophenoxy)ethanone

Systemtic Name: 1-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2-nitrophenoxy)ethanone Openeye Name: 1-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2-nitrophenoxy)ethanone CAS Name: 1-[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]-2-(2-nitrophenoxy)ethanone IUPAC Name: 1-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2-nitrophenoxy)ethanone Traditional Name: 1-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidino]-2-(2-nitrophenoxy)ethanone Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCCN2C(=O)COC3=CC=CC=C3[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@H]2CCCN2C(=O)COC3=CC=CC=C3[N+](=O)[O-])OC

InChI

InChI=1S/C20H22N2O6/c1-26-14-9-10-15(19(12-14)27-2)16-7-5-11-21(16)20(23)13-28-18-8-4-3-6-17(18)22(24)25/h3-4,6,8-10,12,16H,5,7,11,13H2,1-2H3/t16-/m1/s1