1-ethyl-6-fluoranyl-7-[[(4E)-4-[(4-methoxyphenyl)methylidene]-5-oxidanylidene-2-phenyl-imidazol-1-yl]amino]-4-oxidanylidene-3H-quinolin-1-ium-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-[[(4E)-4-[(4-methoxyphenyl)methylidene]-5-oxidanylidene-2-phenyl-imidazol-1-yl]amino]-4-oxidanylidene-3H-quinolin-1-ium-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[[(4E)-4-[(4-methoxyphenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]amino]-4-oxo-3H-quinolin-1-ium-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[[(4E)-4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenyl-1-imidazolyl]amino]-4-oxo-3H-quinolin-1-ium-3-carboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[[(4E)-4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]amino]-4-oxo-3H-quinolin-1-ium-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[[(4E)-5-keto-4-p-anisylidene-2-phenyl-2-imidazolin-1-yl]amino]-3H-quinolin-1-ium-3-carboxylic acid Formula: C29H24FN4O5+ MolecularWeight: 527.523063

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(C(=O)C2=CC(=C(C=C21)NN3C(=NC(=CC4=CC=C(C=C4)OC)C3=O)C5=CC=CC=C5)F)C(=O)O

Isomeric SMILES

CC[N+]1=CC(C(=O)C2=CC(=C(C=C21)NN3C(=N/C(=C/C4=CC=C(C=C4)OC)/C3=O)C5=CC=CC=C5)F)C(=O)O

InChI

InChI=1S/C29H23FN4O5/c1-3-33-16-21(29(37)38)26(35)20-14-22(30)23(15-25(20)33)32-34-27(18-7-5-4-6-8-18)31-24(28(34)36)13-17-9-11-19(39-2)12-10-17/h4-16,21H,3H2,1-2H3,(H-,32,35,37,38)/p+1/b24-13+