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

Systemtic Name: ethyl 1-(3-bromophenyl)-4-(3,4-dimethoxyphenyl)sulfonyloxy-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 1-(3-bromophenyl)-4-(3,4-dimethoxyphenyl)sulfonyloxy-6-oxo-pyridazine-3-carboxylate CAS Name: 1-(3-bromophenyl)-4-(3,4-dimethoxyphenyl)sulfonyloxy-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-bromophenyl)-4-(3,4-dimethoxyphenyl)sulfonyloxy-6-oxopyridazine-3-carboxylate Traditional Name: 1-(3-bromophenyl)-4-(3,4-dimethoxyphenyl)sulfonyloxy-6-keto-pyridazine-3-carboxylic acid ethyl ester Formula: C21H19BrN2O8S MolecularWeight: 539.35316

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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)OC)OC)C3=CC(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN2O8S/c1-4-31-21(26)20-18(12-19(25)24(23-20)14-7-5-6-13(22)10-14)32-33(27,28)15-8-9-16(29-2)17(11-15)30-3/h5-12H,4H2,1-3H3