1-methyl-3-(4-nitrophenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole

Systemtic Name: 1-methyl-3-(4-nitrophenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole Openeye Name: 1-methyl-3-(4-nitrophenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole CAS Name: 1-methyl-3-(4-nitrophenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole IUPAC Name: 1-methyl-3-(4-nitrophenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole Traditional Name: 1-methyl-3-(4-nitrophenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole Formula: C16H11F3N4O2 MolecularWeight: 348.27935

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CN1C(=NC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C16H11F3N4O2/c1-22-15(12-4-2-3-5-13(12)16(17,18)19)20-14(21-22)10-6-8-11(9-7-10)23(24)25/h2-9H,1H3