3-[(4-bromanyl-3-methyl-phenyl)amino]pentanenitrile

Systemtic Name: 3-[(4-bromanyl-3-methyl-phenyl)amino]pentanenitrile Openeye Name: 3-(4-bromo-3-methyl-anilino)pentanenitrile CAS Name: 3-(4-bromo-3-methylanilino)pentanenitrile IUPAC Name: 3-(4-bromo-3-methylanilino)pentanenitrile Traditional Name: 3-(4-bromo-3-methyl-anilino)valeronitrile Formula: C12H15BrN2 MolecularWeight: 267.1649

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#N)NC1=CC(=C(C=C1)Br)C

Isomeric SMILES

CCC(CC#N)NC1=CC(=C(C=C1)Br)C

InChI

InChI=1S/C12H15BrN2/c1-3-10(6-7-14)15-11-4-5-12(13)9(2)8-11/h4-5,8,10,15H,3,6H2,1-2H3