(5-cyano-2-fluoranyl-phenyl)methyl 3-(4-oxidanylidenecinnolin-1-yl)propanoate

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl 3-(4-oxidanylidenecinnolin-1-yl)propanoate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl 3-(4-oxocinnolin-1-yl)propanoate CAS Name: 3-(4-oxo-1-cinnolinyl)propanoic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl 3-(4-oxocinnolin-1-yl)propanoate Traditional Name: 3-(4-ketocinnolin-1-yl)propionic acid (5-cyano-2-fluoro-benzyl) ester Formula: C19H14FN3O3 MolecularWeight: 351.331163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C=NN2CCC(=O)OCC3=C(C=CC(=C3)C#N)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C=NN2CCC(=O)OCC3=C(C=CC(=C3)C#N)F

InChI

InChI=1S/C19H14FN3O3/c20-16-6-5-13(10-21)9-14(16)12-26-19(25)7-8-23-17-4-2-1-3-15(17)18(24)11-22-23/h1-6,9,11H,7-8,12H2