(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H21FN2O7 MolecularWeight: 444.409743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21FN2O7/c23-18-3-1-14(2-4-18)21(26)24-7-5-15(6-8-24)22(27)31-12-17-10-19(25(28)29)9-16-11-30-13-32-20(16)17/h1-4,9-10,15H,5-8,11-13H2