2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazino]-5-nitro-benzonitrile Formula: C17H13ClF3N5O2 MolecularWeight: 411.76563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C17H13ClF3N5O2/c18-14-8-12(17(19,20)21)10-23-16(14)25-5-3-24(4-6-25)15-2-1-13(26(27)28)7-11(15)9-22/h1-2,7-8,10H,3-6H2