4-[4-[(E)-4-bromanylbut-2-enoxy]-3-fluoranyl-phenyl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-[(E)-4-bromanylbut-2-enoxy]-3-fluoranyl-phenyl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[(E)-4-bromobut-2-enoxy]-3-fluoro-benzoyl]benzonitrile CAS Name: 4-[[4-[(E)-4-bromobut-2-enoxy]-3-fluorophenyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-[(E)-4-bromobut-2-enoxy]-3-fluorobenzoyl]benzonitrile Traditional Name: 4-[4-[(E)-4-bromobut-2-enoxy]-3-fluoro-benzoyl]benzonitrile Formula: C18H13BrFNO2 MolecularWeight: 374.203723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)C2=CC(=C(C=C2)OCC=CCBr)F

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)C2=CC(=C(C=C2)OC/C=C/CBr)F

InChI

InChI=1S/C18H13BrFNO2/c19-9-1-2-10-23-17-8-7-15(11-16(17)20)18(22)14-5-3-13(12-21)4-6-14/h1-8,11H,9-10H2/b2-1+