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

Systemtic Name: 5-[3-(carboxymethyloxy)-6-(dicyanomethylidene)pyridazin-1-yl]sulfonyl-2-methyl-benzoic acid Openeye Name: 5-[3-(carboxymethyloxy)-6-(dicyanomethylene)pyridazin-1-yl]sulfonyl-2-methyl-benzoic acid CAS Name: 5-[[3-(carboxymethyloxy)-6-(dicyanomethylidene)-1-pyridazinyl]sulfonyl]-2-methylbenzoic acid IUPAC Name: 5-[3-(carboxymethyloxy)-6-(dicyanomethylidene)pyridazin-1-yl]sulfonyl-2-methylbenzoic acid Traditional Name: 5-[3-(carboxymethyloxy)-6-(dicyanomethylene)pyridazin-1-yl]sulfonyl-2-methyl-benzoic acid Formula: C17H12N4O7S MolecularWeight: 416.36478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C17H12N4O7S/c1-10-2-3-12(6-13(10)17(24)25)29(26,27)21-14(11(7-18)8-19)4-5-15(20-21)28-9-16(22)23/h2-6H,9H2,1H3,(H,22,23)(H,24,25)