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

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(4-ethoxy-3-nitro-phenyl)methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-(4-ethoxy-3-nitro-phenyl)methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-(4-ethoxy-3-nitrophenyl)methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(4-ethoxy-3-nitrophenyl)methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazino]-(4-ethoxy-3-nitro-phenyl)methanone Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-2-29-21-6-4-18(14-19(21)25(27)28)22(26)24-10-8-23(9-11-24)15-16-3-5-20-17(13-16)7-12-30-20/h3-6,13-14H,2,7-12,15H2,1H3