1-[2-[4-nitro-2-(phenylmethyl)phenoxy]ethanoyl]piperidine-3-carboxamide

Systemtic Name: 1-[2-[4-nitro-2-(phenylmethyl)phenoxy]ethanoyl]piperidine-3-carboxamide Openeye Name: 1-[2-(2-benzyl-4-nitro-phenoxy)acetyl]piperidine-3-carboxamide CAS Name: 1-[2-[4-nitro-2-(phenylmethyl)phenoxy]-1-oxoethyl]-3-piperidinecarboxamide IUPAC Name: 1-[2-(2-benzyl-4-nitrophenoxy)acetyl]piperidine-3-carboxamide Traditional Name: 1-[2-(2-benzyl-4-nitro-phenoxy)acetyl]nipecotamide Formula: C21H23N3O5 MolecularWeight: 397.42442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1CC(CN(C1)C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C21H23N3O5/c22-21(26)16-7-4-10-23(13-16)20(25)14-29-19-9-8-18(24(27)28)12-17(19)11-15-5-2-1-3-6-15/h1-3,5-6,8-9,12,16H,4,7,10-11,13-14H2,(H2,22,26)