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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2,4-bis(chloranyl)-5-fluoranyl-benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2,4-dichloro-5-fluoro-benzoate CAS Name: 2,4-dichloro-5-fluorobenzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2,4-dichloro-5-fluorobenzoate Traditional Name: 2,4-dichloro-5-fluoro-benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C13H9Cl2FN2O3 MolecularWeight: 331.126563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9Cl2FN2O3/c1-6(18)8(4-17)12(19)5-21-13(20)7-2-11(16)10(15)3-9(7)14/h2-3,8,18H,5H2,1H3