5-azanyl-7-[(2R,3S)-3-azanyl-2-methyl-azetidin-1-yl]-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-7-[(2R,3S)-3-azanyl-2-methyl-azetidin-1-yl]-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-[(2R,3S)-3-amino-2-methyl-azetidin-1-yl]-1-ethyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-[(2R,3S)-3-amino-2-methyl-1-azetidinyl]-1-ethyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-[(2R,3S)-3-amino-2-methylazetidin-1-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-[(2R,3S)-3-amino-2-methyl-azetidin-1-yl]-1-ethyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C16H18F2N4O3 MolecularWeight: 352.335926

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C(=C(C(=C2N)F)N3CC(C3C)N)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C(=C(C(=C2N)F)N3C[C@@H]([C@H]3C)N)F)C(=O)O

InChI

InChI=1S/C16H18F2N4O3/c1-3-21-4-7(16(24)25)15(23)9-12(20)10(17)14(11(18)13(9)21)22-5-8(19)6(22)2/h4,6,8H,3,5,19-20H2,1-2H3,(H,24,25)/t6-,8+/m1/s1