2-acetamido-5-[[3-(dicyanomethylidene)-6-oxidanylidene-1H-pyridazin-2-yl]sulfonyl]benzoic acid

Systemtic Name: 2-acetamido-5-[[3-(dicyanomethylidene)-6-oxidanylidene-1H-pyridazin-2-yl]sulfonyl]benzoic acid Openeye Name: 2-acetamido-5-[[3-(dicyanomethylene)-6-oxo-1H-pyridazin-2-yl]sulfonyl]benzoic acid CAS Name: 2-acetamido-5-[[3-(dicyanomethylidene)-6-oxo-1H-pyridazin-2-yl]sulfonyl]benzoic acid IUPAC Name: 2-acetamido-5-[[3-(dicyanomethylidene)-6-oxo-1H-pyridazin-2-yl]sulfonyl]benzoic acid Traditional Name: 2-acetamido-5-[[3-(dicyanomethylene)-6-keto-1H-pyridazin-2-yl]sulfonyl]benzoic acid Formula: C16H11N5O6S MolecularWeight: 401.35344

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2C(=C(C#N)C#N)C=CC(=O)N2)C(=O)O

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2C(=C(C#N)C#N)C=CC(=O)N2)C(=O)O

InChI

InChI=1S/C16H11N5O6S/c1-9(22)19-13-3-2-11(6-12(13)16(24)25)28(26,27)21-14(10(7-17)8-18)4-5-15(23)20-21/h2-6H,1H3,(H,19,22)(H,20,23)(H,24,25)