3-bromanyl-3-ethyl-2-(hydroxymethyl)-2-oxidanyl-pentanenitrile

Systemtic Name: 3-bromanyl-3-ethyl-2-(hydroxymethyl)-2-oxidanyl-pentanenitrile Openeye Name: 3-bromo-3-ethyl-2-hydroxy-2-(hydroxymethyl)pentanenitrile CAS Name: 3-bromo-3-ethyl-2-hydroxy-2-(hydroxymethyl)pentanenitrile IUPAC Name: 3-bromo-3-ethyl-2-hydroxy-2-(hydroxymethyl)pentanenitrile Traditional Name: 3-bromo-3-ethyl-2-hydroxy-2-methylol-valeronitrile Formula: C8H14BrNO2 MolecularWeight: 236.10626

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(CO)(C#N)O)Br

Isomeric SMILES

CCC(CC)(C(CO)(C#N)O)Br

InChI

InChI=1S/C8H14BrNO2/c1-3-7(9,4-2)8(12,5-10)6-11/h11-12H,3-4,6H2,1-2H3