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

Systemtic Name: methyl 2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrazole-5-carboxylate Openeye Name: methyl 2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxylate CAS Name: 2-[4-(trifluoromethyl)phenyl]-5-tetrazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxylate Traditional Name: 2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxylic acid methyl ester Formula: C10H7F3N4O2 MolecularWeight: 272.18339

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7F3N4O2/c1-19-9(18)8-14-16-17(15-8)7-4-2-6(3-5-7)10(11,12)13/h2-5H,1H3