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

Systemtic Name: ethyl 1-(3-bromophenyl)-4-(4-ethoxyphenyl)sulfonyloxy-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 1-(3-bromophenyl)-4-(4-ethoxyphenyl)sulfonyloxy-6-oxo-pyridazine-3-carboxylate CAS Name: 1-(3-bromophenyl)-4-(4-ethoxyphenyl)sulfonyloxy-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-bromophenyl)-4-(4-ethoxyphenyl)sulfonyloxy-6-oxopyridazine-3-carboxylate Traditional Name: 1-(3-bromophenyl)-6-keto-4-p-phenetylsulfonyloxy-pyridazine-3-carboxylic acid ethyl ester Formula: C21H19BrN2O7S MolecularWeight: 523.35376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=O)N(N=C2C(=O)OCC)C3=CC(=CC=C3)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=O)N(N=C2C(=O)OCC)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H19BrN2O7S/c1-3-29-16-8-10-17(11-9-16)32(27,28)31-18-13-19(25)24(15-7-5-6-14(22)12-15)23-20(18)21(26)30-4-2/h5-13H,3-4H2,1-2H3