2-[1-(4-acetamidophenyl)sulfonyl-6-(dicyanomethylidene)pyridazin-3-yl]oxyethanoic acid

Systemtic Name: 2-[1-(4-acetamidophenyl)sulfonyl-6-(dicyanomethylidene)pyridazin-3-yl]oxyethanoic acid Openeye Name: 2-[1-(4-acetamidophenyl)sulfonyl-6-(dicyanomethylene)pyridazin-3-yl]oxyacetic acid CAS Name: 2-[[1-(4-acetamidophenyl)sulfonyl-6-(dicyanomethylidene)-3-pyridazinyl]oxy]acetic acid IUPAC Name: 2-[1-(4-acetamidophenyl)sulfonyl-6-(dicyanomethylidene)pyridazin-3-yl]oxyacetic acid Traditional Name: 2-[1-(4-acetamidophenyl)sulfonyl-6-(dicyanomethylene)pyridazin-3-yl]oxyacetic acid Formula: C17H13N5O6S MolecularWeight: 415.38002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N5O6S/c1-11(23)20-13-2-4-14(5-3-13)29(26,27)22-15(12(8-18)9-19)6-7-16(21-22)28-10-17(24)25/h2-7H,10H2,1H3,(H,20,23)(H,24,25)