2-[(1-methyl-6-oxidanylidene-pyridazin-3-yl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(1-methyl-6-oxidanylidene-pyridazin-3-yl)carbonylamino]terephthalic acid Openeye Name: 2-[(1-methyl-6-oxo-pyridazine-3-carbonyl)amino]terephthalic acid CAS Name: 2-[[(1-methyl-6-oxo-3-pyridazinyl)-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]terephthalic acid Traditional Name: 2-[(6-keto-1-methyl-pyridazine-3-carbonyl)amino]terephthalic acid Formula: C14H11N3O6 MolecularWeight: 317.25364

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=CC(=N1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CN1C(=O)C=CC(=N1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C14H11N3O6/c1-17-11(18)5-4-9(16-17)12(19)15-10-6-7(13(20)21)2-3-8(10)14(22)23/h2-6H,1H3,(H,15,19)(H,20,21)(H,22,23)