ethyl 1-(3-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyloxy)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 1-(3-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyloxy)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 1-(3-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyloxy)-6-oxo-pyridazine-3-carboxylate CAS Name: 1-(3-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyloxy)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyloxy)-6-oxopyridazine-3-carboxylate Traditional Name: 1-(3-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyloxy)-6-keto-pyridazine-3-carboxylic acid ethyl ester Formula: C21H17BrN2O8S MolecularWeight: 537.33728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1OS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4=CC(=CC=C4)Br

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1OS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H17BrN2O8S/c1-2-29-21(26)20-18(12-19(25)24(23-20)14-5-3-4-13(22)10-14)32-33(27,28)15-6-7-16-17(11-15)31-9-8-30-16/h3-7,10-12H,2,8-9H2,1H3