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

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(5-ethoxy-4-methoxy-2-nitro-phenyl)methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-(5-ethoxy-4-methoxy-2-nitro-phenyl)methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-(5-ethoxy-4-methoxy-2-nitrophenyl)methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(5-ethoxy-4-methoxy-2-nitrophenyl)methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazino]-(5-ethoxy-4-methoxy-2-nitro-phenyl)methanone Formula: C23H27N3O6 MolecularWeight: 441.47698

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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-])OC

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O6/c1-3-31-22-13-18(19(26(28)29)14-21(22)30-2)23(27)25-9-7-24(8-10-25)15-16-4-5-20-17(12-16)6-11-32-20/h4-5,12-14H,3,6-11,15H2,1-2H3