ethyl 1-(4-fluorophenyl)-4-(4-methyl-3,5-dinitro-phenyl)sulfonyloxy-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 1-(4-fluorophenyl)-4-(4-methyl-3,5-dinitro-phenyl)sulfonyloxy-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 1-(4-fluorophenyl)-4-(4-methyl-3,5-dinitro-phenyl)sulfonyloxy-6-oxo-pyridazine-3-carboxylate CAS Name: 1-(4-fluorophenyl)-4-(4-methyl-3,5-dinitrophenyl)sulfonyloxy-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-fluorophenyl)-4-(4-methyl-3,5-dinitrophenyl)sulfonyloxy-6-oxopyridazine-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-6-keto-4-(4-methyl-3,5-dinitro-phenyl)sulfonyloxy-pyridazine-3-carboxylic acid ethyl ester Formula: C20H15FN4O10S MolecularWeight: 522.417303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1OS(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1OS(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C20H15FN4O10S/c1-3-34-20(27)19-17(10-18(26)23(22-19)13-6-4-12(21)5-7-13)35-36(32,33)14-8-15(24(28)29)11(2)16(9-14)25(30)31/h4-10H,3H2,1-2H3