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

Systemtic Name: methyl 5-chloranyl-1-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxylate Openeye Name: methyl 5-chloro-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxylate CAS Name: 5-chloro-1-[3-(trifluoromethyl)phenyl]-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 5-chloro-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxylate Traditional Name: 5-chloro-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxylic acid methyl ester Formula: C11H7ClF3N3O2 MolecularWeight: 305.64039

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=N1)C2=CC=CC(=C2)C(F)(F)F)Cl

Isomeric SMILES

COC(=O)C1=C(N(N=N1)C2=CC=CC(=C2)C(F)(F)F)Cl

InChI

InChI=1S/C11H7ClF3N3O2/c1-20-10(19)8-9(12)18(17-16-8)7-4-2-3-6(5-7)11(13,14)15/h2-5H,1H3