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

Systemtic Name: ethyl 5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]triazole-4-carboxylate CAS Name: 5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]triazole-4-carboxylate Traditional Name: 5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]triazole-4-carboxylic acid ethyl ester Formula: C13H11F3N4O4 MolecularWeight: 344.24605

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11F3N4O4/c1-3-24-12(21)11-7(2)19(18-17-11)9-5-4-8(13(14,15)16)6-10(9)20(22)23/h4-6H,3H2,1-2H3