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

Systemtic Name: 1-[2,2-bis(chloranyl)cyclopropyl]-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-(2,2-dichlorocyclopropyl)-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-(2,2-dichlorocyclopropyl)-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-(2,2-dichlorocyclopropyl)-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-(2,2-dichlorocyclopropyl)-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C17H16Cl2FN3O3 MolecularWeight: 400.231643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16Cl2FN3O3/c18-17(19)7-14(17)23-8-10(16(25)26)15(24)9-5-11(20)13(6-12(9)23)22-3-1-21-2-4-22/h5-6,8,14,21H,1-4,7H2,(H,25,26)