7-(3-bromanylazetidin-1-yl)-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(3-bromanylazetidin-1-yl)-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(3-bromoazetidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(3-bromo-1-azetidinyl)-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(3-bromoazetidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(3-bromoazetidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C16H13BrF2N2O3 MolecularWeight: 399.186826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrF2N2O3/c17-7-4-20(5-7)14-11(18)3-9-13(12(14)19)21(8-1-2-8)6-10(15(9)22)16(23)24/h3,6-8H,1-2,4-5H2,(H,23,24)