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

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-(3-nitrophenyl)methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazino]-(3-nitrophenyl)methanone Formula: C20H21N3O4 MolecularWeight: 367.39844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4/c24-20(17-2-1-3-18(13-17)23(25)26)22-9-7-21(8-10-22)14-15-4-5-19-16(12-15)6-11-27-19/h1-5,12-13H,6-11,14H2