(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3,5-bis(fluoranyl)benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3,5-bis(fluoranyl)benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3,5-difluorobenzoate CAS Name: 3,5-difluorobenzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3,5-difluorobenzoate Traditional Name: 3,5-difluorobenzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C13H10F2N2O3 MolecularWeight: 280.226906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=CC(=C1)F)F

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=CC(=C1)F)F

InChI

InChI=1S/C13H10F2N2O3/c1-7(17)11(5-16)12(18)6-20-13(19)8-2-9(14)4-10(15)3-8/h2-4,11,17H,6H2,1H3