methyl 2-(cyanomethyl)-6-fluoranyl-1,3-bis(oxidanylidene)-4H-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-(cyanomethyl)-6-fluoranyl-1,3-bis(oxidanylidene)-4H-isoquinoline-4-carboxylate Openeye Name: methyl 2-(cyanomethyl)-6-fluoro-1,3-dioxo-4H-isoquinoline-4-carboxylate CAS Name: 2-(cyanomethyl)-6-fluoro-1,3-dioxo-4H-isoquinoline-4-carboxylic acid methyl ester IUPAC Name: methyl 2-(cyanomethyl)-6-fluoro-1,3-dioxo-4H-isoquinoline-4-carboxylate Traditional Name: 2-(cyanomethyl)-6-fluoro-1,3-diketo-4H-isoquinoline-4-carboxylic acid methyl ester Formula: C13H9FN2O4 MolecularWeight: 276.219963

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2=C(C=CC(=C2)F)C(=O)N(C1=O)CC#N

Isomeric SMILES

COC(=O)C1C2=C(C=CC(=C2)F)C(=O)N(C1=O)CC#N

InChI

InChI=1S/C13H9FN2O4/c1-20-13(19)10-9-6-7(14)2-3-8(9)11(17)16(5-4-15)12(10)18/h2-3,6,10H,5H2,1H3