2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-5-nitro-benzonitrile CAS Name: 2-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-5-nitrobenzonitrile IUPAC Name: 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[(3S,5S)-3,5-dimethylpiperidino]-5-nitro-benzonitrile Formula: C14H17N3O2 MolecularWeight: 259.30368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C14H17N3O2/c1-10-5-11(2)9-16(8-10)14-4-3-13(17(18)19)6-12(14)7-15/h3-4,6,10-11H,5,8-9H2,1-2H3/t10-,11-/m0/s1