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

Systemtic Name: 3-nitro-1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole Openeye Name: 3-nitro-1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole CAS Name: 3-nitro-1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole IUPAC Name: 3-nitro-1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole Traditional Name: 3-nitro-1-[3-(trifluoromethyl)benzyl]-1,2,4-triazole Formula: C10H7F3N4O2 MolecularWeight: 272.18339

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C10H7F3N4O2/c11-10(12,13)8-3-1-2-7(4-8)5-16-6-14-9(15-16)17(18)19/h1-4,6H,5H2