bis(fluoranyl)boranyl 7-(cyanoamino)-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: bis(fluoranyl)boranyl 7-(cyanoamino)-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: difluoroboranyl 7-(cyanoamino)-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 7-(cyanoamino)-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid difluoroboranyl ester IUPAC Name: difluoroboranyl 7-(cyanoamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 7-(cyanoamino)-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid difluoroboranyl ester Formula: C13H9BF3N3O3 MolecularWeight: 323.03507

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Descriptors Computed from Structure

Canonical SMILES:

B(OC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)NC#N)CC)(F)F

Isomeric SMILES

B(OC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)NC#N)CC)(F)F

InChI

InChI=1S/C13H9BF3N3O3/c1-2-20-5-8(13(22)23-14(16)17)12(21)7-3-9(15)10(19-6-18)4-11(7)20/h3-5,19H,2H2,1H3