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

Systemtic Name: 2-acetamido-5-[3-(carboxymethyloxy)-6-oxidanylidene-pyridazin-1-yl]sulfonyl-benzoic acid Openeye Name: 2-acetamido-5-[3-(carboxymethyloxy)-6-oxo-pyridazin-1-yl]sulfonyl-benzoic acid CAS Name: 2-acetamido-5-[[3-(carboxymethyloxy)-6-oxo-1-pyridazinyl]sulfonyl]benzoic acid IUPAC Name: 2-acetamido-5-[3-(carboxymethyloxy)-6-oxopyridazin-1-yl]sulfonylbenzoic acid Traditional Name: 2-acetamido-5-[3-(carboxymethyloxy)-6-keto-pyridazin-1-yl]sulfonyl-benzoic acid Formula: C15H13N3O9S MolecularWeight: 411.34342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O9S/c1-8(19)16-11-3-2-9(6-10(11)15(23)24)28(25,26)18-13(20)5-4-12(17-18)27-7-14(21)22/h2-6H,7H2,1H3,(H,16,19)(H,21,22)(H,23,24)