2-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[4-(coumaran-5-ylmethyl)piperazino]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)CN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)CN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5/c27-21-17-2-1-3-18(26(29)30)20(17)22(28)25(21)14-24-9-7-23(8-10-24)13-15-4-5-19-16(12-15)6-11-31-19/h1-5,12H,6-11,13-14H2