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

Systemtic Name: 2-[[6-oxidanylidene-1-(phenylmethyl)pyridazin-3-yl]carbonylamino]terephthalic acid Openeye Name: 2-[(1-benzyl-6-oxo-pyridazine-3-carbonyl)amino]terephthalic acid CAS Name: 2-[[oxo-[6-oxo-1-(phenylmethyl)-3-pyridazinyl]methyl]amino]terephthalic acid IUPAC Name: 2-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]terephthalic acid Traditional Name: 2-[(1-benzyl-6-keto-pyridazine-3-carbonyl)amino]terephthalic acid Formula: C20H15N3O6 MolecularWeight: 393.3496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C=CC(=N2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C=CC(=N2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C20H15N3O6/c24-17-9-8-15(22-23(17)11-12-4-2-1-3-5-12)18(25)21-16-10-13(19(26)27)6-7-14(16)20(28)29/h1-10H,11H2,(H,21,25)(H,26,27)(H,28,29)