5-nitro-2-(3-oxidanylpiperidin-1-yl)benzenecarbonitrile

Systemtic Name: 5-nitro-2-(3-oxidanylpiperidin-1-yl)benzenecarbonitrile Openeye Name: 2-(3-hydroxy-1-piperidyl)-5-nitro-benzonitrile CAS Name: 2-(3-hydroxy-1-piperidinyl)-5-nitrobenzonitrile IUPAC Name: 2-(3-hydroxypiperidin-1-yl)-5-nitrobenzonitrile Traditional Name: 2-(3-hydroxypiperidino)-5-nitro-benzonitrile Formula: C12H13N3O3 MolecularWeight: 247.24992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C#N)O

Isomeric SMILES

C1CC(CN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C#N)O

InChI

InChI=1S/C12H13N3O3/c13-7-9-6-10(15(17)18)3-4-12(9)14-5-1-2-11(16)8-14/h3-4,6,11,16H,1-2,5,8H2