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

Systemtic Name: 3-[[5-bromanyl-2-(hydroxymethyl)phenyl]-methyl-amino]propanenitrile Openeye Name: 3-[5-bromo-2-(hydroxymethyl)-N-methyl-anilino]propanenitrile CAS Name: 3-[5-bromo-2-(hydroxymethyl)-N-methylanilino]propanenitrile IUPAC Name: 3-[5-bromo-2-(hydroxymethyl)-N-methylanilino]propanenitrile Traditional Name: 3-(5-bromo-N-methyl-2-methylol-anilino)propionitrile Formula: C11H13BrN2O MolecularWeight: 269.13772

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C1=C(C=CC(=C1)Br)CO

Isomeric SMILES

CN(CCC#N)C1=C(C=CC(=C1)Br)CO

InChI

InChI=1S/C11H13BrN2O/c1-14(6-2-5-13)11-7-10(12)4-3-9(11)8-15/h3-4,7,15H,2,6,8H2,1H3