1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1,2,4-triazole

Systemtic Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1,2,4-triazole Openeye Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1,2,4-triazole CAS Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1,2,4-triazole IUPAC Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1,2,4-triazole Traditional Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1,2,4-triazole Formula: C9H4F3N5O4 MolecularWeight: 303.15437

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])N2C=NC=N2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])N2C=NC=N2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C9H4F3N5O4/c10-9(11,12)5-1-6(16(18)19)8(7(2-5)17(20)21)15-4-13-3-14-15/h1-4H