2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine

Systemtic Name: 2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine Openeye Name: 2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine CAS Name: 2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]pyrimidine IUPAC Name: 2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine Traditional Name: 2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazino]pyrimidine Formula: C15H13F3N6O4 MolecularWeight: 398.29673

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13F3N6O4/c16-15(17,18)10-8-11(23(25)26)13(12(9-10)24(27)28)21-4-6-22(7-5-21)14-19-2-1-3-20-14/h1-3,8-9H,4-7H2