(2-benzamido-2-oxidanylidene-ethyl) 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: (2-benzamido-2-oxo-ethyl) 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid (2-benzamido-2-keto-ethyl) ester Formula: C21H21N3O6 MolecularWeight: 411.40794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC(=O)C2=CC=CC=C2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC(=O)C2=CC=CC=C2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6/c25-19(22-20(26)15-6-2-1-3-7-15)14-30-21(27)16-10-12-23(13-11-16)17-8-4-5-9-18(17)24(28)29/h1-9,16H,10-14H2,(H,22,25,26)