(1-cyano-3-methyl-butyl) 4-bromanylbenzoate

Systemtic Name: (1-cyano-3-methyl-butyl) 4-bromanylbenzoate Openeye Name: (1-cyano-3-methyl-butyl) 4-bromobenzoate CAS Name: 4-bromobenzoic acid (1-cyano-3-methylbutyl) ester IUPAC Name: (1-cyano-3-methylbutyl) 4-bromobenzoate Traditional Name: 4-bromobenzoic acid (1-cyano-3-methyl-butyl) ester Formula: C13H14BrNO2 MolecularWeight: 296.15976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C#N)OC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CC(C)CC(C#N)OC(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C13H14BrNO2/c1-9(2)7-12(8-15)17-13(16)10-3-5-11(14)6-4-10/h3-6,9,12H,7H2,1-2H3