ethyl 1-(3-bromophenyl)-4-(4-ethanoylphenyl)sulfonyloxy-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 1-(3-bromophenyl)-4-(4-ethanoylphenyl)sulfonyloxy-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-(4-acetylphenyl)sulfonyloxy-1-(3-bromophenyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-(4-acetylphenyl)sulfonyloxy-1-(3-bromophenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-acetylphenyl)sulfonyloxy-1-(3-bromophenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-(4-acetylphenyl)sulfonyloxy-1-(3-bromophenyl)-6-keto-pyridazine-3-carboxylic acid ethyl ester Formula: C21H17BrN2O7S MolecularWeight: 521.33788

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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)C(=O)C)C3=CC(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN2O7S/c1-3-30-21(27)20-18(12-19(26)24(23-20)16-6-4-5-15(22)11-16)31-32(28,29)17-9-7-14(8-10-17)13(2)25/h4-12H,3H2,1-2H3