[4-cyano-2,3-bis(fluoranyl)phenyl] 4-butoxybenzoate

Systemtic Name: [4-cyano-2,3-bis(fluoranyl)phenyl] 4-butoxybenzoate Openeye Name: (4-cyano-2,3-difluoro-phenyl) 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid (4-cyano-2,3-difluorophenyl) ester IUPAC Name: (4-cyano-2,3-difluorophenyl) 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid (4-cyano-2,3-difluoro-phenyl) ester Formula: C18H15F2NO3 MolecularWeight: 331.313406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C(=C(C=C2)C#N)F)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C(=C(C=C2)C#N)F)F

InChI

InChI=1S/C18H15F2NO3/c1-2-3-10-23-14-7-4-12(5-8-14)18(22)24-15-9-6-13(11-21)16(19)17(15)20/h4-9H,2-3,10H2,1H3