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

Systemtic Name: ethyl 4-(5-bromanyl-2-ethoxy-phenyl)sulfonyloxy-1-(4-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-(5-bromo-2-ethoxy-phenyl)sulfonyloxy-6-oxo-1-(p-tolyl)pyridazine-3-carboxylate CAS Name: 4-(5-bromo-2-ethoxyphenyl)sulfonyloxy-1-(4-methylphenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-bromo-2-ethoxyphenyl)sulfonyloxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-(5-bromo-2-ethoxy-phenyl)sulfonyloxy-6-keto-1-(p-tolyl)pyridazine-3-carboxylic acid ethyl ester Formula: C22H21BrN2O7S MolecularWeight: 537.38034

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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)C

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)C

InChI

InChI=1S/C22H21BrN2O7S/c1-4-30-17-11-8-15(23)12-19(17)33(28,29)32-18-13-20(26)25(16-9-6-14(3)7-10-16)24-21(18)22(27)31-5-2/h6-13H,4-5H2,1-3H3