2-[5-[1-(3-fluoranyl-4-isocyano-phenyl)-1-oxidanyl-ethyl]imidazol-1-yl]ethanoic acid

Systemtic Name: 2-[5-[1-(3-fluoranyl-4-isocyano-phenyl)-1-oxidanyl-ethyl]imidazol-1-yl]ethanoic acid Openeye Name: 2-[5-[1-(3-fluoro-4-isocyano-phenyl)-1-hydroxy-ethyl]imidazol-1-yl]acetic acid CAS Name: 2-[5-[1-(3-fluoro-4-isocyanophenyl)-1-hydroxyethyl]-1-imidazolyl]acetic acid IUPAC Name: 2-[5-[1-(3-fluoro-4-isocyanophenyl)-1-hydroxyethyl]imidazol-1-yl]acetic acid Traditional Name: 2-[5-[1-(3-fluoro-4-isocyano-phenyl)-1-hydroxy-ethyl]imidazol-1-yl]acetic acid Formula: C14H12FN3O3 MolecularWeight: 289.261783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)[N+]#[C-])F)(C2=CN=CN2CC(=O)O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)[N+]#[C-])F)(C2=CN=CN2CC(=O)O)O

InChI

InChI=1S/C14H12FN3O3/c1-14(21,9-3-4-11(16-2)10(15)5-9)12-6-17-8-18(12)7-13(19)20/h3-6,8,21H,7H2,1H3,(H,19,20)