2-[[5-bromanyl-2-(hydroxymethyl)phenyl]-(cyanomethyl)amino]ethanenitrile

Systemtic Name: 2-[[5-bromanyl-2-(hydroxymethyl)phenyl]-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[5-bromo-N-(cyanomethyl)-2-(hydroxymethyl)anilino]acetonitrile CAS Name: 2-[5-bromo-N-(cyanomethyl)-2-(hydroxymethyl)anilino]acetonitrile IUPAC Name: 2-[5-bromo-N-(cyanomethyl)-2-(hydroxymethyl)anilino]acetonitrile Traditional Name: 2-[5-bromo-N-(cyanomethyl)-2-methylol-anilino]acetonitrile Formula: C11H10BrN3O MolecularWeight: 280.1206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)N(CC#N)CC#N)CO

Isomeric SMILES

C1=CC(=C(C=C1Br)N(CC#N)CC#N)CO

InChI

InChI=1S/C11H10BrN3O/c12-10-2-1-9(8-16)11(7-10)15(5-3-13)6-4-14/h1-2,7,16H,5-6,8H2