5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-[2-(pyridin-2-ylcarbonylamino)ethylamino]quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-[2-(pyridin-2-ylcarbonylamino)ethylamino]quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-[2-(pyridine-2-carbonylamino)ethylamino]quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-[2-[[oxo(2-pyridinyl)methyl]amino]ethylamino]-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-oxo-7-[2-(pyridine-2-carbonylamino)ethylamino]quinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-keto-7-(2-picolinamidoethylamino)quinoline-3-carboxylic acid Formula: C21H19F2N5O4 MolecularWeight: 443.403466

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)NCCNC(=O)C4=CC=CC=N4)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)NCCNC(=O)C4=CC=CC=N4)F)C(=O)O

InChI

InChI=1S/C21H19F2N5O4/c22-14-16(24)13-18(28(10-4-5-10)9-11(19(13)29)21(31)32)15(23)17(14)26-7-8-27-20(30)12-3-1-2-6-25-12/h1-3,6,9-10,26H,4-5,7-8,24H2,(H,27,30)(H,31,32)