3-[[4-(4-ethylpiperazin-1-yl)-8-nitro-quinolin-3-yl]carbonylamino]-5-fluoranyl-4-oxidanylidene-pentanoic acid

Systemtic Name: 3-[[4-(4-ethylpiperazin-1-yl)-8-nitro-quinolin-3-yl]carbonylamino]-5-fluoranyl-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[4-(4-ethylpiperazin-1-yl)-8-nitro-quinoline-3-carbonyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 3-[[[4-(4-ethyl-1-piperazinyl)-8-nitro-3-quinolinyl]-oxomethyl]amino]-5-fluoro-4-oxopentanoic acid IUPAC Name: 3-[[4-(4-ethylpiperazin-1-yl)-8-nitroquinoline-3-carbonyl]amino]-5-fluoro-4-oxopentanoic acid Traditional Name: 3-[[4-(4-ethylpiperazino)-8-nitro-quinoline-3-carbonyl]amino]-5-fluoro-4-keto-valeric acid Formula: C21H24FN5O6 MolecularWeight: 461.443563

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C3C=CC=C(C3=NC=C2C(=O)NC(CC(=O)O)C(=O)CF)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C3C=CC=C(C3=NC=C2C(=O)NC(CC(=O)O)C(=O)CF)[N+](=O)[O-]

InChI

InChI=1S/C21H24FN5O6/c1-2-25-6-8-26(9-7-25)20-13-4-3-5-16(27(32)33)19(13)23-12-14(20)21(31)24-15(10-18(29)30)17(28)11-22/h3-5,12,15H,2,6-11H2,1H3,(H,24,31)(H,29,30)