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

Systemtic Name: 2-acetamido-5-[3-(carboxymethyloxy)-6-(dicyanomethylidene)pyridazin-1-yl]sulfonyl-benzoic acid Openeye Name: 2-acetamido-5-[3-(carboxymethyloxy)-6-(dicyanomethylene)pyridazin-1-yl]sulfonyl-benzoic acid CAS Name: 2-acetamido-5-[[3-(carboxymethyloxy)-6-(dicyanomethylidene)-1-pyridazinyl]sulfonyl]benzoic acid IUPAC Name: 2-acetamido-5-[3-(carboxymethyloxy)-6-(dicyanomethylidene)pyridazin-1-yl]sulfonylbenzoic acid Traditional Name: 2-acetamido-5-[3-(carboxymethyloxy)-6-(dicyanomethylene)pyridazin-1-yl]sulfonyl-benzoic acid Formula: C18H13N5O8S MolecularWeight: 459.38952

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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(=N2)OCC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H13N5O8S/c1-10(24)21-14-3-2-12(6-13(14)18(27)28)32(29,30)23-15(11(7-19)8-20)4-5-16(22-23)31-9-17(25)26/h2-6H,9H2,1H3,(H,21,24)(H,25,26)(H,27,28)