4-[(5-bromanyl-4-prop-2-enyl-pyridin-3-yl)-oxidanyl-methyl]-2-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[(5-bromanyl-4-prop-2-enyl-pyridin-3-yl)-oxidanyl-methyl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-[(4-allyl-5-bromo-3-pyridyl)-hydroxy-methyl]-2-fluoro-benzonitrile CAS Name: 4-[(5-bromo-4-prop-2-enyl-3-pyridinyl)-hydroxymethyl]-2-fluorobenzonitrile IUPAC Name: 4-[(5-bromo-4-prop-2-enylpyridin-3-yl)-hydroxymethyl]-2-fluorobenzonitrile Traditional Name: 4-[(4-allyl-5-bromo-3-pyridyl)-hydroxy-methyl]-2-fluoro-benzonitrile Formula: C16H12BrFN2O MolecularWeight: 347.181683

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C=NC=C1C(C2=CC(=C(C=C2)C#N)F)O)Br

Isomeric SMILES

C=CCC1=C(C=NC=C1C(C2=CC(=C(C=C2)C#N)F)O)Br

InChI

InChI=1S/C16H12BrFN2O/c1-2-3-12-13(8-20-9-14(12)17)16(21)10-4-5-11(7-19)15(18)6-10/h2,4-6,8-9,16,21H,1,3H2