N-[[4-(ethoxymethyl)phenyl]methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[[4-(ethoxymethyl)phenyl]methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[4-(ethoxymethyl)phenyl]methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[4-(ethoxymethyl)phenyl]methyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[4-(ethoxymethyl)phenyl]methyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(ethoxymethyl)benzyl]-3-nitro-4-pyrrolidino-benzamide Formula: C21H25N3O4 MolecularWeight: 383.4409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOCC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4/c1-2-28-15-17-7-5-16(6-8-17)14-22-21(25)18-9-10-19(20(13-18)24(26)27)23-11-3-4-12-23/h5-10,13H,2-4,11-12,14-15H2,1H3,(H,22,25)