ethyl 1-(3-bromophenyl)-4-(2-methyl-5-nitro-phenyl)sulfonyloxy-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 1-(3-bromophenyl)-4-(2-methyl-5-nitro-phenyl)sulfonyloxy-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 1-(3-bromophenyl)-4-(2-methyl-5-nitro-phenyl)sulfonyloxy-6-oxo-pyridazine-3-carboxylate CAS Name: 1-(3-bromophenyl)-4-(2-methyl-5-nitrophenyl)sulfonyloxy-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-bromophenyl)-4-(2-methyl-5-nitrophenyl)sulfonyloxy-6-oxopyridazine-3-carboxylate Traditional Name: 1-(3-bromophenyl)-6-keto-4-(2-methyl-5-nitro-phenyl)sulfonyloxy-pyridazine-3-carboxylic acid ethyl ester Formula: C20H16BrN3O8S MolecularWeight: 538.32534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1OS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C)C3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1OS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H16BrN3O8S/c1-3-31-20(26)19-16(11-18(25)23(22-19)14-6-4-5-13(21)9-14)32-33(29,30)17-10-15(24(27)28)8-7-12(17)2/h4-11H,3H2,1-2H3