6,7,8,9-tetrahydrodibenzofuran-2-yl 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: 6,7,8,9-tetrahydrodibenzofuran-2-yl 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: 6,7,8,9-tetrahydrodibenzofuran-2-yl 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid 6,7,8,9-tetrahydrodibenzofuran-2-yl ester IUPAC Name: 6,7,8,9-tetrahydrodibenzofuran-2-yl 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid 6,7,8,9-tetrahydrodibenzofuran-2-yl ester Formula: C25H26N2O5 MolecularWeight: 434.48434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC4=C(C=C3)OC5=C4CCCC5)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC4=C(C=C3)OC5=C4CCCC5)[N+](=O)[O-]

InChI

InChI=1S/C25H26N2O5/c1-16-10-12-26(13-11-16)21-8-6-17(14-22(21)27(29)30)25(28)31-18-7-9-24-20(15-18)19-4-2-3-5-23(19)32-24/h6-9,14-16H,2-5,10-13H2,1H3