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

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[[(4E)-5-oxidanylidene-2-phenyl-4-(phenylmethylidene)imidazol-1-yl]amino]-3H-quinolin-1-ium-3-carboxylic acid Openeye Name: 7-[[(4E)-4-benzylidene-5-oxo-2-phenyl-imidazol-1-yl]amino]-1-ethyl-6-fluoro-4-oxo-3H-quinolin-1-ium-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[[(4E)-5-oxo-2-phenyl-4-(phenylmethylene)-1-imidazolyl]amino]-3H-quinolin-1-ium-3-carboxylic acid IUPAC Name: 7-[[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]amino]-1-ethyl-6-fluoro-4-oxo-3H-quinolin-1-ium-3-carboxylic acid Traditional Name: 7-[[(4E)-4-benzal-5-keto-2-phenyl-2-imidazolin-1-yl]amino]-1-ethyl-6-fluoro-4-keto-3H-quinolin-1-ium-3-carboxylic acid Formula: C28H22FN4O4+ MolecularWeight: 497.497083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H21FN4O4/c1-2-32-16-20(28(36)37)25(34)19-14-21(29)22(15-24(19)32)31-33-26(18-11-7-4-8-12-18)30-23(27(33)35)13-17-9-5-3-6-10-17/h3-16,20H,2H2,1H3,(H-,31,34,36,37)/p+1/b23-13+