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

Systemtic Name: 2-methyl-5-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-1,2,3-triazole-4-carbonitrile Openeye Name: 2-methyl-5-[2-nitro-4-(trifluoromethyl)anilino]triazole-4-carbonitrile CAS Name: 2-methyl-5-[2-nitro-4-(trifluoromethyl)anilino]-4-triazolecarbonitrile IUPAC Name: 2-methyl-5-[2-nitro-4-(trifluoromethyl)anilino]triazole-4-carbonitrile Traditional Name: 2-methyl-5-[2-nitro-4-(trifluoromethyl)anilino]triazole-4-carbonitrile Formula: C11H7F3N6O2 MolecularWeight: 312.20749

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Descriptors Computed from Structure

Canonical SMILES:

CN1N=C(C(=N1)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C#N

Isomeric SMILES

CN1N=C(C(=N1)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C#N

InChI

InChI=1S/C11H7F3N6O2/c1-19-17-8(5-15)10(18-19)16-7-3-2-6(11(12,13)14)4-9(7)20(21)22/h2-4H,1H3,(H,16,18)