tert-butyl 3-chloranyl-4-(cyanomethyl)benzoate

Systemtic Name: tert-butyl 3-chloranyl-4-(cyanomethyl)benzoate Openeye Name: tert-butyl 3-chloro-4-(cyanomethyl)benzoate CAS Name: 3-chloro-4-(cyanomethyl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-chloro-4-(cyanomethyl)benzoate Traditional Name: 3-chloro-4-(cyanomethyl)benzoic acid tert-butyl ester Formula: C13H14ClNO2 MolecularWeight: 251.70876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClNO2/c1-13(2,3)17-12(16)10-5-4-9(6-7-15)11(14)8-10/h4-5,8H,6H2,1-3H3