ethyl 1-(3-bromophenyl)-4-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyloxy-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 1-(3-bromophenyl)-4-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyloxy-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 1-(3-bromophenyl)-4-(4-chloro-2,5-dimethyl-phenyl)sulfonyloxy-6-oxo-pyridazine-3-carboxylate CAS Name: 1-(3-bromophenyl)-4-(4-chloro-2,5-dimethylphenyl)sulfonyloxy-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-bromophenyl)-4-(4-chloro-2,5-dimethylphenyl)sulfonyloxy-6-oxopyridazine-3-carboxylate Traditional Name: 1-(3-bromophenyl)-4-(4-chloro-2,5-dimethyl-phenyl)sulfonyloxy-6-keto-pyridazine-3-carboxylic acid ethyl ester Formula: C21H18BrClN2O6S MolecularWeight: 541.79942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1OS(=O)(=O)C2=C(C=C(C(=C2)C)Cl)C)C3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1OS(=O)(=O)C2=C(C=C(C(=C2)C)Cl)C)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H18BrClN2O6S/c1-4-30-21(27)20-17(11-19(26)25(24-20)15-7-5-6-14(22)10-15)31-32(28,29)18-9-12(2)16(23)8-13(18)3/h5-11H,4H2,1-3H3