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

Systemtic Name: methyl 5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxylate Openeye Name: methyl 5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]triazole-4-carboxylate CAS Name: 5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 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 methyl ester Formula: C12H9F3N4O4 MolecularWeight: 330.21947

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9F3N4O4/c1-6-10(11(20)23-2)16-17-18(6)8-4-3-7(12(13,14)15)5-9(8)19(21)22/h3-5H,1-2H3