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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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