3-[[5-bromanyl-2-(chloromethyl)phenyl]-phenyl-amino]propanenitrile

Systemtic Name: 3-[[5-bromanyl-2-(chloromethyl)phenyl]-phenyl-amino]propanenitrile Openeye Name: 3-(N-[5-bromo-2-(chloromethyl)phenyl]anilino)propanenitrile CAS Name: 3-(N-[5-bromo-2-(chloromethyl)phenyl]anilino)propanenitrile IUPAC Name: 3-(N-[5-bromo-2-(chloromethyl)phenyl]anilino)propanenitrile Traditional Name: 3-(N-[5-bromo-2-(chloromethyl)phenyl]anilino)propionitrile Formula: C16H14BrClN2 MolecularWeight: 349.65276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrClN2/c17-14-8-7-13(12-18)16(11-14)20(10-4-9-19)15-5-2-1-3-6-15/h1-3,5-8,11H,4,10,12H2