4-[[(2E)-2-(4-azanyl-5-fluoranyl-2-oxidanylidene-quinolin-3-ylidene)-1,3-dihydrobenzimidazol-5-yl]carbonylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 4-[[(2E)-2-(4-azanyl-5-fluoranyl-2-oxidanylidene-quinolin-3-ylidene)-1,3-dihydrobenzimidazol-5-yl]carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: 4-[[(2E)-2-(4-amino-5-fluoro-2-oxo-3-quinolylidene)-1,3-dihydrobenzimidazole-5-carbonyl]amino]-3-hydroxy-butanoic acid CAS Name: 4-[[[(2E)-2-(4-amino-5-fluoro-2-oxo-3-quinolinylidene)-1,3-dihydrobenzimidazol-5-yl]-oxomethyl]amino]-3-hydroxybutanoic acid IUPAC Name: 4-[[(2E)-2-(4-amino-5-fluoro-2-oxoquinolin-3-ylidene)-1,3-dihydrobenzimidazole-5-carbonyl]amino]-3-hydroxybutanoic acid Traditional Name: 4-[[(2E)-2-(4-amino-5-fluoro-2-keto-3-quinolylidene)-1,3-dihydrobenzimidazole-5-carbonyl]amino]-3-hydroxy-butyric acid Formula: C21H18FN5O5 MolecularWeight: 439.396523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=O)C(=C3NC4=C(N3)C=C(C=C4)C(=O)NCC(CC(=O)O)O)C(=C2C(=C1)F)N

Isomeric SMILES

C1=CC2=NC(=O)/C(=C/3\NC4=C(N3)C=C(C=C4)C(=O)NCC(CC(=O)O)O)/C(=C2C(=C1)F)N

InChI

InChI=1S/C21H18FN5O5/c22-11-2-1-3-13-16(11)18(23)17(21(32)27-13)19-25-12-5-4-9(6-14(12)26-19)20(31)24-8-10(28)7-15(29)30/h1-6,10,25-26,28H,7-8,23H2,(H,24,31)(H,29,30)/b19-17+