1-(4-methyl-2,3-dinitro-phenoxy)-3-[4-(phenoxymethyl)piperidin-1-yl]propan-2-ol

Systemtic Name: 1-(4-methyl-2,3-dinitro-phenoxy)-3-[4-(phenoxymethyl)piperidin-1-yl]propan-2-ol Openeye Name: 1-(4-methyl-2,3-dinitro-phenoxy)-3-[4-(phenoxymethyl)-1-piperidyl]propan-2-ol CAS Name: 1-(4-methyl-2,3-dinitrophenoxy)-3-[4-(phenoxymethyl)-1-piperidinyl]-2-propanol IUPAC Name: 1-(4-methyl-2,3-dinitrophenoxy)-3-[4-(phenoxymethyl)piperidin-1-yl]propan-2-ol Traditional Name: 1-(4-methyl-2,3-dinitro-phenoxy)-3-[4-(phenoxymethyl)piperidino]propan-2-ol Formula: C22H27N3O7 MolecularWeight: 445.46568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)OCC(CN2CCC(CC2)COC3=CC=CC=C3)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C=C1)OCC(CN2CCC(CC2)COC3=CC=CC=C3)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O7/c1-16-7-8-20(22(25(29)30)21(16)24(27)28)32-15-18(26)13-23-11-9-17(10-12-23)14-31-19-5-3-2-4-6-19/h2-8,17-18,26H,9-15H2,1H3