1-[2,2-bis(fluoranyl)cyclopropyl]-6-chloranyl-8-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-[2,2-bis(fluoranyl)cyclopropyl]-6-chloranyl-8-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 6-chloro-1-(2,2-difluorocyclopropyl)-8-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 6-chloro-1-(2,2-difluorocyclopropyl)-8-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-chloro-1-(2,2-difluorocyclopropyl)-8-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 6-chloro-1-(2,2-difluorocyclopropyl)-8-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C17H15ClF3N3O3 MolecularWeight: 401.76751

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4(F)F)Cl

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4(F)F)Cl

InChI

InChI=1S/C17H15ClF3N3O3/c18-10-5-8-13(12(19)14(10)23-3-1-22-2-4-23)24(11-6-17(11,20)21)7-9(15(8)25)16(26)27/h5,7,11,22H,1-4,6H2,(H,26,27)