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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-chloranyl-4,5-bis(fluoranyl)benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-chloro-4,5-difluoro-benzoate CAS Name: 2-chloro-4,5-difluorobenzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-chloro-4,5-difluorobenzoate Traditional Name: 2-chloro-4,5-difluoro-benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C13H9ClF2N2O3 MolecularWeight: 314.671966

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=C(C=C1Cl)F)F

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=C(C=C1Cl)F)F

InChI

InChI=1S/C13H9ClF2N2O3/c1-6(18)8(4-17)12(19)5-21-13(20)7-2-10(15)11(16)3-9(7)14/h2-3,8,18H,5H2,1H3