7-(3-cyanoazetidin-1-yl)-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(3-cyanoazetidin-1-yl)-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(3-cyanoazetidin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(3-cyano-1-azetidinyl)-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(3-cyanoazetidin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(3-cyanoazetidin-1-yl)-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C17H14FN3O3 MolecularWeight: 327.309763

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CC(C4)C#N)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CC(C4)C#N)F)C(=O)O

InChI

InChI=1S/C17H14FN3O3/c18-13-3-11-14(4-15(13)20-6-9(5-19)7-20)21(10-1-2-10)8-12(16(11)22)17(23)24/h3-4,8-10H,1-2,6-7H2,(H,23,24)