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

Systemtic Name: 4-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-nitro-benzamide Openeye Name: 4-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-nitro-benzamide CAS Name: 4-[[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]methyl]-3-nitrobenzamide IUPAC Name: 4-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-nitrobenzamide Traditional Name: 4-[[(2R)-2-(2,4-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)C2CCCN2CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@H]2CCCN2CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])OC

InChI

InChI=1S/C20H23N3O5/c1-27-15-7-8-16(19(11-15)28-2)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)/t17-/m1/s1