2-[[2-[1-[(3-methoxy-5-nitro-2-oxidanyl-phenyl)methyl]piperidin-4-yl]imidazol-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[2-[1-[(3-methoxy-5-nitro-2-oxidanyl-phenyl)methyl]piperidin-4-yl]imidazol-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-[1-[(2-hydroxy-3-methoxy-5-nitro-phenyl)methyl]-4-piperidyl]imidazol-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-[1-[(2-hydroxy-3-methoxy-5-nitrophenyl)methyl]-4-piperidinyl]-1-imidazolyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-[1-[(2-hydroxy-3-methoxy-5-nitrophenyl)methyl]piperidin-4-yl]imidazol-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[2-[1-(2-hydroxy-3-methoxy-5-nitro-benzyl)-4-piperidyl]imidazol-1-yl]methyl]isoindoline-1,3-quinone Formula: C25H25N5O6 MolecularWeight: 491.4959

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])CN2CCC(CC2)C3=NC=CN3CN4C(=O)C5=CC=CC=C5C4=O)O

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])CN2CCC(CC2)C3=NC=CN3CN4C(=O)C5=CC=CC=C5C4=O)O

InChI

InChI=1S/C25H25N5O6/c1-36-21-13-18(30(34)35)12-17(22(21)31)14-27-9-6-16(7-10-27)23-26-8-11-28(23)15-29-24(32)19-4-2-3-5-20(19)25(29)33/h2-5,8,11-13,16,31H,6-7,9-10,14-15H2,1H3