2-chloranyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[2-(2-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidino-ethyl]-4-nitro-benzamide Formula: C20H22ClN3O4 MolecularWeight: 403.85938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)N3CCCC3

Isomeric SMILES

COC1=CC=CC=C1C(CNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)N3CCCC3

InChI

InChI=1S/C20H22ClN3O4/c1-28-19-7-3-2-6-16(19)18(23-10-4-5-11-23)13-22-20(25)15-9-8-14(24(26)27)12-17(15)21/h2-3,6-9,12,18H,4-5,10-11,13H2,1H3,(H,22,25)