7-[[4-(dicyanomethylidene)-2-methyl-6-[(2-methyl-3-nitro-phenyl)sulfamoyl]quinazolin-3-yl]amino]-1-ethyl-6-fluoranyl-4-oxidanylidene-3H-quinolin-1-ium-3-carboxylic acid

Systemtic Name: 7-[[4-(dicyanomethylidene)-2-methyl-6-[(2-methyl-3-nitro-phenyl)sulfamoyl]quinazolin-3-yl]amino]-1-ethyl-6-fluoranyl-4-oxidanylidene-3H-quinolin-1-ium-3-carboxylic acid Openeye Name: 7-[[4-(dicyanomethylene)-2-methyl-6-[(2-methyl-3-nitro-phenyl)sulfamoyl]quinazolin-3-yl]amino]-1-ethyl-6-fluoro-4-oxo-3H-quinolin-1-ium-3-carboxylic acid CAS Name: 7-[[4-(dicyanomethylidene)-2-methyl-6-[(2-methyl-3-nitrophenyl)sulfamoyl]-3-quinazolinyl]amino]-1-ethyl-6-fluoro-4-oxo-3H-quinolin-1-ium-3-carboxylic acid IUPAC Name: 7-[[4-(dicyanomethylidene)-2-methyl-6-[(2-methyl-3-nitrophenyl)sulfamoyl]quinazolin-3-yl]amino]-1-ethyl-6-fluoro-4-oxo-3H-quinolin-1-ium-3-carboxylic acid Traditional Name: 7-[[4-(dicyanomethylene)-2-methyl-6-[(2-methyl-3-nitro-phenyl)sulfamoyl]quinazolin-3-yl]amino]-1-ethyl-6-fluoro-4-keto-3H-quinolin-1-ium-3-carboxylic acid Formula: C31H24FN8O7S+ MolecularWeight: 671.635063

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(C(=O)C2=CC(=C(C=C21)NN3C(=NC4=C(C3=C(C#N)C#N)C=C(C=C4)S(=O)(=O)NC5=C(C(=CC=C5)[N+](=O)[O-])C)C)F)C(=O)O

Isomeric SMILES

CC[N+]1=CC(C(=O)C2=CC(=C(C=C21)NN3C(=NC4=C(C3=C(C#N)C#N)C=C(C=C4)S(=O)(=O)NC5=C(C(=CC=C5)[N+](=O)[O-])C)C)F)C(=O)O

InChI

InChI=1S/C31H23FN8O7S/c1-4-38-15-22(31(42)43)30(41)21-11-23(32)26(12-28(21)38)36-39-17(3)35-25-9-8-19(10-20(25)29(39)18(13-33)14-34)48(46,47)37-24-6-5-7-27(16(24)2)40(44)45/h5-12,15,22,37H,4H2,1-3H3,(H-,36,41,42,43)/p+1