1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-(2-nitrophenoxy)ethanone

Systemtic Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-(2-nitrophenoxy)ethanone Openeye Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-2-(2-nitrophenoxy)ethanone CAS Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-2-(2-nitrophenoxy)ethanone IUPAC Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-(2-nitrophenoxy)ethanone Traditional Name: 1-[4-(coumaran-5-ylmethyl)piperazino]-2-(2-nitrophenoxy)ethanone Formula: C21H23N3O5 MolecularWeight: 397.42442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)COC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)COC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c25-21(15-29-20-4-2-1-3-18(20)24(26)27)23-10-8-22(9-11-23)14-16-5-6-19-17(13-16)7-12-28-19/h1-6,13H,7-12,14-15H2