5-azanyl-7-(3-azanylazetidin-1-yl)-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-7-(3-azanylazetidin-1-yl)-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-(3-aminoazetidin-1-yl)-1-ethyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-(3-amino-1-azetidinyl)-1-ethyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-(3-aminoazetidin-1-yl)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-(3-aminoazetidin-1-yl)-1-ethyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C15H16F2N4O3 MolecularWeight: 338.309346

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C(=C(C(=C2N)F)N3CC(C3)N)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C(=C(C(=C2N)F)N3CC(C3)N)F)C(=O)O

InChI

InChI=1S/C15H16F2N4O3/c1-2-20-5-7(15(23)24)14(22)8-11(19)9(16)13(10(17)12(8)20)21-3-6(18)4-21/h5-6H,2-4,18-19H2,1H3,(H,23,24)