2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-3-one

Systemtic Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-3-one Openeye Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-one CAS Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-one IUPAC Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-one Traditional Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-one Formula: C16H7F6N5O6 MolecularWeight: 479.247099

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=NN(C2=O)C3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1N2C=NN(C2=O)C3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])OC(F)(F)F

InChI

InChI=1S/C16H7F6N5O6/c17-15(18,19)8-5-11(26(29)30)13(12(6-8)27(31)32)25-14(28)24(7-23-25)9-1-3-10(4-2-9)33-16(20,21)22/h1-7H