3-[(4-bromanyl-2,6-dimethyl-phenyl)amino]pentanenitrile

Systemtic Name: 3-[(4-bromanyl-2,6-dimethyl-phenyl)amino]pentanenitrile Openeye Name: 3-(4-bromo-2,6-dimethyl-anilino)pentanenitrile CAS Name: 3-(4-bromo-2,6-dimethylanilino)pentanenitrile IUPAC Name: 3-(4-bromo-2,6-dimethylanilino)pentanenitrile Traditional Name: 3-(4-bromo-2,6-dimethyl-anilino)valeronitrile Formula: C13H17BrN2 MolecularWeight: 281.19148

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#N)NC1=C(C=C(C=C1C)Br)C

Isomeric SMILES

CCC(CC#N)NC1=C(C=C(C=C1C)Br)C

InChI

InChI=1S/C13H17BrN2/c1-4-12(5-6-15)16-13-9(2)7-11(14)8-10(13)3/h7-8,12,16H,4-5H2,1-3H3