(2-bromanyl-1-cyano-2-methyl-heptyl) propanoate

Systemtic Name: (2-bromanyl-1-cyano-2-methyl-heptyl) propanoate Openeye Name: (2-bromo-1-cyano-2-methyl-heptyl) propanoate CAS Name: propanoic acid (2-bromo-1-cyano-2-methylheptyl) ester IUPAC Name: (2-bromo-1-cyano-2-methylheptyl) propanoate Traditional Name: propionic acid (2-bromo-1-cyano-2-methyl-heptyl) ester Formula: C12H20BrNO2 MolecularWeight: 290.1967

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C(C#N)OC(=O)CC)Br

Isomeric SMILES

CCCCCC(C)(C(C#N)OC(=O)CC)Br

InChI

InChI=1S/C12H20BrNO2/c1-4-6-7-8-12(3,13)10(9-14)16-11(15)5-2/h10H,4-8H2,1-3H3