1-(cyanomethyl)-6,7-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-(cyanomethyl)-6,7-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(cyanomethyl)-6,7-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(cyanomethyl)-6,7-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(cyanomethyl)-6,7-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(cyanomethyl)-6,7-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C12H6F2N2O3 MolecularWeight: 264.184446

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=CC(=C1F)F)N(C=C(C2=O)C(=O)O)CC#N

Isomeric SMILES

C1=C2C(=CC(=C1F)F)N(C=C(C2=O)C(=O)O)CC#N

InChI

InChI=1S/C12H6F2N2O3/c13-8-3-6-10(4-9(8)14)16(2-1-15)5-7(11(6)17)12(18)19/h3-5H,2H2,(H,18,19)