3-[1-[(6-nitro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[(6-nitro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[(6-nitro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 3-[1-[(6-nitro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[(6-nitro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[(6-nitro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-4-piperidyl]-1H-benzimidazol-2-one Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4COC5=C(O4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4COC5=C(O4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5/c26-21-22-17-3-1-2-4-18(17)24(21)14-7-9-23(10-8-14)12-16-13-29-19-6-5-15(25(27)28)11-20(19)30-16/h1-6,11,14,16H,7-10,12-13H2,(H,22,26)