2-acetamido-5-(3-chloranyl-6-oxidanylidene-pyridazin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 2-acetamido-5-(3-chloranyl-6-oxidanylidene-pyridazin-1-yl)sulfonyl-benzoic acid Openeye Name: 2-acetamido-5-(3-chloro-6-oxo-pyridazin-1-yl)sulfonyl-benzoic acid CAS Name: 2-acetamido-5-[(3-chloro-6-oxo-1-pyridazinyl)sulfonyl]benzoic acid IUPAC Name: 2-acetamido-5-(3-chloro-6-oxopyridazin-1-yl)sulfonylbenzoic acid Traditional Name: 2-acetamido-5-(3-chloro-6-keto-pyridazin-1-yl)sulfonyl-benzoic acid Formula: C13H10ClN3O6S MolecularWeight: 371.753

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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)Cl)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H10ClN3O6S/c1-7(18)15-10-3-2-8(6-9(10)13(20)21)24(22,23)17-12(19)5-4-11(14)16-17/h2-6H,1H3,(H,15,18)(H,20,21)