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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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