3-[[2-(chloromethyl)-4-fluoranyl-phenyl]-phenyl-amino]propanenitrile

Systemtic Name: 3-[[2-(chloromethyl)-4-fluoranyl-phenyl]-phenyl-amino]propanenitrile Openeye Name: 3-(N-[2-(chloromethyl)-4-fluoro-phenyl]anilino)propanenitrile CAS Name: 3-(N-[2-(chloromethyl)-4-fluorophenyl]anilino)propanenitrile IUPAC Name: 3-(N-[2-(chloromethyl)-4-fluorophenyl]anilino)propanenitrile Traditional Name: 3-(N-[2-(chloromethyl)-4-fluoro-phenyl]anilino)propionitrile Formula: C16H14ClFN2 MolecularWeight: 288.747163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C2=C(C=C(C=C2)F)CCl

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C2=C(C=C(C=C2)F)CCl

InChI

InChI=1S/C16H14ClFN2/c17-12-13-11-14(18)7-8-16(13)20(10-4-9-19)15-5-2-1-3-6-15/h1-3,5-8,11H,4,10,12H2