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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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