(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 4-(trifluoromethyl)benzoate

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 4-(trifluoromethyl)benzoate Openeye Name: (1-phenyltetrazol-5-yl)methyl 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C16H11F3N4O2 MolecularWeight: 348.27935

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)COC(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)COC(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C16H11F3N4O2/c17-16(18,19)12-8-6-11(7-9-12)15(24)25-10-14-20-21-22-23(14)13-4-2-1-3-5-13/h1-9H,10H2