(phenylmethyl) N-[(2S)-6-nitro-1-oxidanylidene-1-piperidin-1-yl-hexan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-6-nitro-1-oxidanylidene-1-piperidin-1-yl-hexan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-5-nitro-1-(piperidine-1-carbonyl)pentyl]carbamate CAS Name: N-[(2S)-6-nitro-1-oxo-1-(1-piperidinyl)hexan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-6-nitro-1-oxo-1-piperidin-1-ylhexan-2-yl]carbamate Traditional Name: N-[(1S)-5-nitro-1-(piperidine-1-carbonyl)pentyl]carbamic acid benzyl ester Formula: C19H27N3O5 MolecularWeight: 377.43478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(CCCC[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CCN(CC1)C(=O)[C@H](CCCC[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H27N3O5/c23-18(21-12-6-2-7-13-21)17(11-5-8-14-22(25)26)20-19(24)27-15-16-9-3-1-4-10-16/h1,3-4,9-10,17H,2,5-8,11-15H2,(H,20,24)/t17-/m0/s1