diethyl 1-[2-nitro-4-(trifluoromethyl)phenyl]-1,2,4-triazole-3,5-dicarboxylate

Systemtic Name: diethyl 1-[2-nitro-4-(trifluoromethyl)phenyl]-1,2,4-triazole-3,5-dicarboxylate Openeye Name: diethyl 1-[2-nitro-4-(trifluoromethyl)phenyl]-1,2,4-triazole-3,5-dicarboxylate CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-1,2,4-triazole-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-[2-nitro-4-(trifluoromethyl)phenyl]-1,2,4-triazole-3,5-dicarboxylate Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-1,2,4-triazole-3,5-dicarboxylic acid diethyl ester Formula: C15H13F3N4O6 MolecularWeight: 402.28213

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=N1)C(=O)OCC)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN(C(=N1)C(=O)OCC)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H13F3N4O6/c1-3-27-13(23)11-19-12(14(24)28-4-2)21(20-11)9-6-5-8(15(16,17)18)7-10(9)22(25)26/h5-7H,3-4H2,1-2H3