2-(4-chloranyl-2-nitro-phenoxy)-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone

Systemtic Name: 2-(4-chloranyl-2-nitro-phenoxy)-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone Openeye Name: 2-(4-chloro-2-nitro-phenoxy)-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone CAS Name: 2-(4-chloro-2-nitrophenoxy)-1-[2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-(4-chloro-2-nitrophenoxy)-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone Traditional Name: 2-(4-chloro-2-nitro-phenoxy)-1-[2-(2,5-dimethoxyphenyl)pyrrolidino]ethanone Formula: C20H21ClN2O6 MolecularWeight: 420.84354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O6/c1-27-14-6-8-18(28-2)15(11-14)16-4-3-9-22(16)20(24)12-29-19-7-5-13(21)10-17(19)23(25)26/h5-8,10-11,16H,3-4,9,12H2,1-2H3