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

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(3,4,5-trimethoxy-2-nitro-phenyl)methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-(3,4,5-trimethoxy-2-nitro-phenyl)methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-(3,4,5-trimethoxy-2-nitrophenyl)methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(3,4,5-trimethoxy-2-nitrophenyl)methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazino]-(3,4,5-trimethoxy-2-nitro-phenyl)methanone Formula: C23H27N3O7 MolecularWeight: 457.47638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C23H27N3O7/c1-30-19-13-17(20(26(28)29)22(32-3)21(19)31-2)23(27)25-9-7-24(8-10-25)14-15-4-5-18-16(12-15)6-11-33-18/h4-5,12-13H,6-11,14H2,1-3H3