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

Systemtic Name: [4-cyano-2,3-bis(fluoranyl)phenyl] 4-butylbenzoate Openeye Name: (4-cyano-2,3-difluoro-phenyl) 4-butylbenzoate CAS Name: 4-butylbenzoic acid (4-cyano-2,3-difluorophenyl) ester IUPAC Name: (4-cyano-2,3-difluorophenyl) 4-butylbenzoate Traditional Name: 4-butylbenzoic acid (4-cyano-2,3-difluoro-phenyl) ester Formula: C18H15F2NO2 MolecularWeight: 315.314006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC2=C(C(=C(C=C2)C#N)F)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC2=C(C(=C(C=C2)C#N)F)F

InChI

InChI=1S/C18H15F2NO2/c1-2-3-4-12-5-7-13(8-6-12)18(22)23-15-10-9-14(11-21)16(19)17(15)20/h5-10H,2-4H2,1H3