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

Systemtic Name: 6,7-bis(fluoranyl)-1-(1-iodanylethyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6,7-difluoro-1-(1-iodoethyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6,7-difluoro-1-(1-iodoethyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6,7-difluoro-1-(1-iodoethyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6,7-difluoro-1-(1-iodoethyl)-4-keto-quinoline-3-carboxylic acid Formula: C12H8F2INO3 MolecularWeight: 379.098096

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C=C(C(=O)C2=CC(=C(C=C21)F)F)C(=O)O)I

Isomeric SMILES

CC(N1C=C(C(=O)C2=CC(=C(C=C21)F)F)C(=O)O)I

InChI

InChI=1S/C12H8F2INO3/c1-5(15)16-4-7(12(18)19)11(17)6-2-8(13)9(14)3-10(6)16/h2-5H,1H3,(H,18,19)