[1-[bis(fluoranyl)methyl]imidazol-2-yl]methyl 4-cyanobenzoate

Systemtic Name: [1-[bis(fluoranyl)methyl]imidazol-2-yl]methyl 4-cyanobenzoate Openeye Name: [1-(difluoromethyl)imidazol-2-yl]methyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [1-(difluoromethyl)-2-imidazolyl]methyl ester IUPAC Name: [1-(difluoromethyl)imidazol-2-yl]methyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [1-(difluoromethyl)imidazol-2-yl]methyl ester Formula: C13H9F2N3O2 MolecularWeight: 277.226266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)OCC2=NC=CN2C(F)F

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)OCC2=NC=CN2C(F)F

InChI

InChI=1S/C13H9F2N3O2/c14-13(15)18-6-5-17-11(18)8-20-12(19)10-3-1-9(7-16)2-4-10/h1-6,13H,8H2