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

Systemtic Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-pyridin-2-yl-1,2,4-triazol-3-one Openeye Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(2-pyridyl)-1,2,4-triazol-3-one CAS Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(2-pyridinyl)-1,2,4-triazol-3-one IUPAC Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-pyridin-2-yl-1,2,4-triazol-3-one Traditional Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(2-pyridyl)-1,2,4-triazol-3-one Formula: C14H7F3N6O5 MolecularWeight: 396.23779

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)N2C=NN(C2=O)C3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)N2C=NN(C2=O)C3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H7F3N6O5/c15-14(16,17)8-5-9(22(25)26)12(10(6-8)23(27)28)21-13(24)20(7-19-21)11-3-1-2-4-18-11/h1-7H