3-(nitromethyl)-4-phenyl-5-(trifluoromethyl)-1,2,4-triazole

Systemtic Name: 3-(nitromethyl)-4-phenyl-5-(trifluoromethyl)-1,2,4-triazole Openeye Name: 3-(nitromethyl)-4-phenyl-5-(trifluoromethyl)-1,2,4-triazole CAS Name: 3-(nitromethyl)-4-phenyl-5-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 3-(nitromethyl)-4-phenyl-5-(trifluoromethyl)-1,2,4-triazole Traditional Name: 3-(nitromethyl)-4-phenyl-5-(trifluoromethyl)-1,2,4-triazole Formula: C10H7F3N4O2 MolecularWeight: 272.18339

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2C(F)(F)F)C[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2C(F)(F)F)C[N+](=O)[O-]

InChI

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