N-[1-(2,5-dimethoxyphenyl)ethyl]-5-nitro-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[1-(2,5-dimethoxyphenyl)ethyl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[1-(2,5-dimethoxyphenyl)ethyl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[1-(2,5-dimethoxyphenyl)ethyl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[1-(2,5-dimethoxyphenyl)ethyl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[1-(2,5-dimethoxyphenyl)ethyl]-5-nitro-2-pyrrolidino-benzamide Formula: C21H25N3O5 MolecularWeight: 399.4403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-14(17-13-16(28-2)7-9-20(17)29-3)22-21(25)18-12-15(24(26)27)6-8-19(18)23-10-4-5-11-23/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,22,25)