3-fluoranyl-4-(pentoxymethyl)benzenecarbonitrile

Systemtic Name: 3-fluoranyl-4-(pentoxymethyl)benzenecarbonitrile Openeye Name: 3-fluoro-4-(pentoxymethyl)benzonitrile CAS Name: 3-fluoro-4-(pentoxymethyl)benzonitrile IUPAC Name: 3-fluoro-4-(pentoxymethyl)benzonitrile Traditional Name: 4-(amoxymethyl)-3-fluoro-benzonitrile Formula: C13H16FNO MolecularWeight: 221.270643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOCC1=C(C=C(C=C1)C#N)F

Isomeric SMILES

CCCCCOCC1=C(C=C(C=C1)C#N)F

InChI

InChI=1S/C13H16FNO/c1-2-3-4-7-16-10-12-6-5-11(9-15)8-13(12)14/h5-6,8H,2-4,7,10H2,1H3