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

Systemtic Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-(2-nitrophenyl)ethanone Openeye Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-2-(2-nitrophenyl)ethanone CAS Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-2-(2-nitrophenyl)ethanone IUPAC Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-(2-nitrophenyl)ethanone Traditional Name: 1-[4-(coumaran-5-ylmethyl)piperazino]-2-(2-nitrophenyl)ethanone Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)CC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)CC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O4/c25-21(14-17-3-1-2-4-19(17)24(26)27)23-10-8-22(9-11-23)15-16-5-6-20-18(13-16)7-12-28-20/h1-6,13H,7-12,14-15H2