1-ethyl-6,8-bis(fluoranyl)-7-(4-methylimidazol-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid hydrate

Systemtic Name: 1-ethyl-6,8-bis(fluoranyl)-7-(4-methylimidazol-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid hydrate Openeye Name: 1-ethyl-6,8-difluoro-7-(4-methylimidazol-1-yl)-4-oxo-quinoline-3-carboxylic acid hydrate CAS Name: 1-ethyl-6,8-difluoro-7-(4-methyl-1-imidazolyl)-4-oxo-3-quinolinecarboxylic acid hydrate IUPAC Name: 1-ethyl-6,8-difluoro-7-(4-methylimidazol-1-yl)-4-oxoquinoline-3-carboxylic acid hydrate Traditional Name: 1-ethyl-6,8-difluoro-4-keto-7-(4-methylimidazol-1-yl)quinoline-3-carboxylic acid hydrate Formula: C32H28F4N6O7 MolecularWeight: 684.594333

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3C=C(N=C3)C)F)C(=O)O.CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3C=C(N=C3)C)F)C(=O)O.O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3C=C(N=C3)C)F)C(=O)O.CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3C=C(N=C3)C)F)C(=O)O.O

InChI

InChI=1S/2C16H13F2N3O3.H2O/c2*1-3-20-6-10(16(23)24)15(22)9-4-11(17)14(12(18)13(9)20)21-5-8(2)19-7-21;/h2*4-7H,3H2,1-2H3,(H,23,24);1H2