tert-butyl (1E)-4-fluoranyl-N-(1,2,4-triazol-1-yl)benzenecarboximidate

Systemtic Name: tert-butyl (1E)-4-fluoranyl-N-(1,2,4-triazol-1-yl)benzenecarboximidate Openeye Name: tert-butyl (1E)-4-fluoro-N-(1,2,4-triazol-1-yl)benzenecarboximidate CAS Name: (1E)-4-fluoro-N-(1,2,4-triazol-1-yl)benzenecarboximidic acid tert-butyl ester IUPAC Name: tert-butyl (1E)-4-fluoro-N-(1,2,4-triazol-1-yl)benzenecarboximidate Traditional Name: (1E)-4-fluoro-N-(1,2,4-triazol-1-yl)benzenecarboximidic acid tert-butyl ester Formula: C13H15FN4O MolecularWeight: 262.282803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=NN1C=NC=N1)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)O/C(=N/N1C=NC=N1)/C2=CC=C(C=C2)F

InChI

InChI=1S/C13H15FN4O/c1-13(2,3)19-12(17-18-9-15-8-16-18)10-4-6-11(14)7-5-10/h4-9H,1-3H3/b17-12+