tert-butyl 4-[(E)-2-cyano-2-fluoranyl-ethenyl]imidazole-1-carboxylate

Systemtic Name: tert-butyl 4-[(E)-2-cyano-2-fluoranyl-ethenyl]imidazole-1-carboxylate Openeye Name: tert-butyl 4-[(E)-2-cyano-2-fluoro-vinyl]imidazole-1-carboxylate CAS Name: 4-[(E)-2-cyano-2-fluoroethenyl]-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-2-cyano-2-fluoroethenyl]imidazole-1-carboxylate Traditional Name: 4-[(E)-2-cyano-2-fluoro-vinyl]imidazole-1-carboxylic acid tert-butyl ester Formula: C11H12FN3O2 MolecularWeight: 237.230283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(N=C1)C=C(C#N)F

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(N=C1)/C=C(\C#N)/F

InChI

InChI=1S/C11H12FN3O2/c1-11(2,3)17-10(16)15-6-9(14-7-15)4-8(12)5-13/h4,6-7H,1-3H3/b8-4+