4-(3-cyanopropoxy)-3,5-dimethyl-benzoate

Systemtic Name: 4-(3-cyanopropoxy)-3,5-dimethyl-benzoate Openeye Name: 4-(3-cyanopropoxy)-3,5-dimethyl-benzoate CAS Name: 4-(3-cyanopropoxy)-3,5-dimethylbenzoate IUPAC Name: 4-(3-cyanopropoxy)-3,5-dimethylbenzoate Traditional Name: 4-(3-cyanopropoxy)-3,5-dimethyl-benzoate Formula: C13H14NO3- MolecularWeight: 232.25516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCCCC#N)C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1OCCCC#N)C)C(=O)[O-]

InChI

InChI=1S/C13H15NO3/c1-9-7-11(13(15)16)8-10(2)12(9)17-6-4-3-5-14/h7-8H,3-4,6H2,1-2H3,(H,15,16)/p-1