ethyl (3S)-1-(3-nitropyridin-2-yl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(3-nitropyridin-2-yl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(3-nitro-2-pyridyl)piperidine-3-carboxylate CAS Name: (3S)-1-(3-nitro-2-pyridinyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(3-nitropyridin-2-yl)piperidine-3-carboxylate Traditional Name: (3S)-1-(3-nitro-2-pyridyl)nipecotic acid ethyl ester Formula: C13H17N3O4 MolecularWeight: 279.29178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C=CC=N2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=C(C=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O4/c1-2-20-13(17)10-5-4-8-15(9-10)12-11(16(18)19)6-3-7-14-12/h3,6-7,10H,2,4-5,8-9H2,1H3/t10-/m0/s1