4-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-nitro-benzamide Openeye Name: 4-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-nitro-benzamide CAS Name: 4-[[2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]methyl]-3-nitrobenzamide IUPAC Name: 4-[[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-nitrobenzamide Traditional Name: 4-[[2-(2,5-dimethoxyphenyl)pyrrolidino]methyl]-3-nitro-benzamide Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2CCCN2CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5/c1-27-15-7-8-19(28-2)16(11-15)17-4-3-9-22(17)12-14-6-5-13(20(21)24)10-18(14)23(25)26/h5-8,10-11,17H,3-4,9,12H2,1-2H3,(H2,21,24)