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

Systemtic Name: 2-[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]terephthalic acid Openeye Name: 2-[(3-benzyl-4-oxo-phthalazine-1-carbonyl)amino]terephthalic acid CAS Name: 2-[[oxo-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]methyl]amino]terephthalic acid IUPAC Name: 2-[(3-benzyl-4-oxophthalazine-1-carbonyl)amino]terephthalic acid Traditional Name: 2-[(3-benzyl-4-keto-phthalazine-1-carbonyl)amino]terephthalic acid Formula: C24H17N3O6 MolecularWeight: 443.40828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=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)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=C(C=CC(=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C24H17N3O6/c28-21(25-19-12-15(23(30)31)10-11-18(19)24(32)33)20-16-8-4-5-9-17(16)22(29)27(26-20)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,25,28)(H,30,31)(H,32,33)