4-chloranyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-nitro-benzamide Openeye Name: 4-chloro-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-nitro-benzamide CAS Name: 4-chloro-N-[2-(3-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-2-nitrobenzamide IUPAC Name: 4-chloro-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-nitrobenzamide Traditional Name: 4-chloro-N-[2-(3-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(=C1)C(CNC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

COC1=CC=CC(=C1)C(CNC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C20H22ClN3O4/c1-28-16-6-4-5-14(11-16)19(23-9-2-3-10-23)13-22-20(25)17-8-7-15(21)12-18(17)24(26)27/h4-8,11-12,19H,2-3,9-10,13H2,1H3,(H,22,25)