(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-chloranyl-6-fluoranyl-benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-chloranyl-6-fluoranyl-benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C13H10ClFN2O3 MolecularWeight: 296.681503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10ClFN2O3/c1-7(17)8(5-16)11(18)6-20-13(19)12-9(14)3-2-4-10(12)15/h2-4,8,17H,6H2,1H3