5-azanyl-6,7-bis(fluoranyl)-1-(oxetan-3-yl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 5-azanyl-6,7-bis(fluoranyl)-1-(oxetan-3-yl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 5-amino-6,7-difluoro-1-(oxetan-3-yl)-4-oxo-quinoline-3-carboxylate CAS Name: 5-amino-6,7-difluoro-1-(3-oxetanyl)-4-oxo-3-quinolinecarboxylate IUPAC Name: 5-amino-6,7-difluoro-1-(oxetan-3-yl)-4-oxoquinoline-3-carboxylate Traditional Name: 5-amino-6,7-difluoro-4-keto-1-(oxetan-3-yl)quinoline-3-carboxylate Formula: C13H9F2N2O4- MolecularWeight: 295.218366

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CO1)N2C=C(C(=O)C3=C(C(=C(C=C32)F)F)N)C(=O)[O-]

Isomeric SMILES

C1C(CO1)N2C=C(C(=O)C3=C(C(=C(C=C32)F)F)N)C(=O)[O-]

InChI

InChI=1S/C13H10F2N2O4/c14-7-1-8-9(11(16)10(7)15)12(18)6(13(19)20)2-17(8)5-3-21-4-5/h1-2,5H,3-4,16H2,(H,19,20)/p-1