2-[[1-(4,5-dimethoxy-2-nitro-phenyl)carbonylpiperidin-4-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[1-(4,5-dimethoxy-2-nitro-phenyl)carbonylpiperidin-4-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[1-(4,5-dimethoxy-2-nitro-benzoyl)-4-piperidyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[1-[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]-4-piperidinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[1-(4,5-dimethoxy-2-nitrobenzoyl)piperidin-4-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[1-(4,5-dimethoxy-2-nitro-benzoyl)-4-piperidyl]methyl]isoindoline-1,3-quinone Formula: C23H23N3O7 MolecularWeight: 453.44462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CCC(CC2)CN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N2CCC(CC2)CN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-])OC

InChI

InChI=1S/C23H23N3O7/c1-32-19-11-17(18(26(30)31)12-20(19)33-2)21(27)24-9-7-14(8-10-24)13-25-22(28)15-5-3-4-6-16(15)23(25)29/h3-6,11-12,14H,7-10,13H2,1-2H3