1-(1-adamantyl)-6-chloranyl-7-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-(1-adamantyl)-6-chloranyl-7-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(1-adamantyl)-6-chloro-7-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(1-adamantyl)-6-chloro-7-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(1-adamantyl)-6-chloro-7-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(1-adamantyl)-6-chloro-7-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C20H19ClFNO3 MolecularWeight: 375.821163

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=O)C5=CC(=C(C=C54)F)Cl)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=O)C5=CC(=C(C=C54)F)Cl)C(=O)O

InChI

InChI=1S/C20H19ClFNO3/c21-15-4-13-17(5-16(15)22)23(9-14(18(13)24)19(25)26)20-6-10-1-11(7-20)3-12(2-10)8-20/h4-5,9-12H,1-3,6-8H2,(H,25,26)