ethyl 4-(5-bromanyl-2-ethoxy-phenyl)sulfonyloxy-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-(5-bromanyl-2-ethoxy-phenyl)sulfonyloxy-1-(4-fluorophenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-(5-bromo-2-ethoxy-phenyl)sulfonyloxy-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-(5-bromo-2-ethoxyphenyl)sulfonyloxy-1-(4-fluorophenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-bromo-2-ethoxyphenyl)sulfonyloxy-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-(5-bromo-2-ethoxy-phenyl)sulfonyloxy-1-(4-fluorophenyl)-6-keto-pyridazine-3-carboxylic acid ethyl ester Formula: C21H18BrFN2O7S MolecularWeight: 541.344223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)OC2=CC(=O)N(N=C2C(=O)OCC)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)OC2=CC(=O)N(N=C2C(=O)OCC)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H18BrFN2O7S/c1-3-30-16-10-5-13(22)11-18(16)33(28,29)32-17-12-19(26)25(15-8-6-14(23)7-9-15)24-20(17)21(27)31-4-2/h5-12H,3-4H2,1-2H3