1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-nitroimidazol-1-yl)ethanone

Systemtic Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-nitroimidazol-1-yl)ethanone Openeye Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-nitroimidazol-1-yl)ethanone CAS Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-(4-nitro-1-imidazolyl)ethanone IUPAC Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-nitroimidazol-1-yl)ethanone Traditional Name: 1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidino]-2-(4-nitroimidazol-1-yl)ethanone Formula: C17H20N4O5 MolecularWeight: 360.3645

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)CN3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H]2CCCN2C(=O)CN3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O5/c1-25-12-5-6-15(26-2)13(8-12)14-4-3-7-20(14)17(22)10-19-9-16(18-11-19)21(23)24/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3/t14-/m1/s1