2-[3-[(4-cyano-3-fluoranyl-phenyl)methyl]imidazol-4-yl]ethanoate

Systemtic Name: 2-[3-[(4-cyano-3-fluoranyl-phenyl)methyl]imidazol-4-yl]ethanoate Openeye Name: 2-[3-[(4-cyano-3-fluoro-phenyl)methyl]imidazol-4-yl]acetate CAS Name: 2-[3-[(4-cyano-3-fluorophenyl)methyl]-4-imidazolyl]acetate IUPAC Name: 2-[3-[(4-cyano-3-fluorophenyl)methyl]imidazol-4-yl]acetate Traditional Name: 2-[3-(4-cyano-3-fluoro-benzyl)imidazol-4-yl]acetate Formula: C13H9FN3O2- MolecularWeight: 258.227863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CN2C=NC=C2CC(=O)[O-])F)C#N

Isomeric SMILES

C1=CC(=C(C=C1CN2C=NC=C2CC(=O)[O-])F)C#N

InChI

InChI=1S/C13H10FN3O2/c14-12-3-9(1-2-10(12)5-15)7-17-8-16-6-11(17)4-13(18)19/h1-3,6,8H,4,7H2,(H,18,19)/p-1