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

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-4-nitro-1,2,3-triazole Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-4-nitro-triazole CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-4-nitrotriazole IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-4-nitrotriazole Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-4-nitro-triazole Formula: C11H6F6N4O2 MolecularWeight: 340.181359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N=NN1C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C11H6F6N4O2/c1-5-9(21(22)23)18-19-20(5)8-3-6(10(12,13)14)2-7(4-8)11(15,16)17/h2-4H,1H3