N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-(methylamino)-5-nitro-benzamide

Systemtic Name: N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-(methylamino)-5-nitro-benzamide Openeye Name: N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-(methylamino)-5-nitro-benzamide CAS Name: N-[2-(4-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-2-(methylamino)-5-nitrobenzamide IUPAC Name: N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(methylamino)-5-nitrobenzamide Traditional Name: N-[2-(4-methoxyphenyl)-2-pyrrolidino-ethyl]-2-(methylamino)-5-nitro-benzamide Formula: C21H26N4O4 MolecularWeight: 398.45554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC(C2=CC=C(C=C2)OC)N3CCCC3

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC(C2=CC=C(C=C2)OC)N3CCCC3

InChI

InChI=1S/C21H26N4O4/c1-22-19-10-7-16(25(27)28)13-18(19)21(26)23-14-20(24-11-3-4-12-24)15-5-8-17(29-2)9-6-15/h5-10,13,20,22H,3-4,11-12,14H2,1-2H3,(H,23,26)