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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-bromanyl-2-fluoranyl-benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-bromo-2-fluoro-benzoate CAS Name: 4-bromo-2-fluorobenzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-bromo-2-fluorobenzoate Traditional Name: 4-bromo-2-fluoro-benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C13H10BrFN2O3 MolecularWeight: 341.132503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10BrFN2O3/c1-7(17)10(5-16)12(18)6-20-13(19)9-3-2-8(14)4-11(9)15/h2-4,10,17H,6H2,1H3