5-azanyl-7-tert-butyl-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-7-tert-butyl-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-tert-butyl-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-tert-butyl-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-tert-butyl-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-tert-butyl-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C17H18F2N2O3 MolecularWeight: 336.333226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C2=C(C(=C1F)N)C(=O)C(=CN2C3CC3)C(=O)O)F

Isomeric SMILES

CC(C)(C)C1=C(C2=C(C(=C1F)N)C(=O)C(=CN2C3CC3)C(=O)O)F

InChI

InChI=1S/C17H18F2N2O3/c1-17(2,3)10-11(18)13(20)9-14(12(10)19)21(7-4-5-7)6-8(15(9)22)16(23)24/h6-7H,4-5,20H2,1-3H3,(H,23,24)