2-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]terephthalic acid Openeye Name: 2-[(4-oxo-3-phenyl-phthalazine-1-carbonyl)amino]terephthalic acid CAS Name: 2-[[oxo-(4-oxo-3-phenyl-1-phthalazinyl)methyl]amino]terephthalic acid IUPAC Name: 2-[(4-oxo-3-phenylphthalazine-1-carbonyl)amino]terephthalic acid Traditional Name: 2-[(4-keto-3-phenyl-phthalazine-1-carbonyl)amino]terephthalic acid Formula: C23H15N3O6 MolecularWeight: 429.3817

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=C(C=CC(=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=C(C=CC(=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C23H15N3O6/c27-20(24-18-12-13(22(29)30)10-11-17(18)23(31)32)19-15-8-4-5-9-16(15)21(28)26(25-19)14-6-2-1-3-7-14/h1-12H,(H,24,27)(H,29,30)(H,31,32)