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

Systemtic Name: 2-[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]terephthalic acid Openeye Name: 2-[(3-isopropyl-4-oxo-phthalazine-1-carbonyl)amino]terephthalic acid CAS Name: 2-[[oxo-(4-oxo-3-propan-2-yl-1-phthalazinyl)methyl]amino]terephthalic acid IUPAC Name: 2-[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]terephthalic acid Traditional Name: 2-[(3-isopropyl-4-keto-phthalazine-1-carbonyl)amino]terephthalic acid Formula: C20H17N3O6 MolecularWeight: 395.36548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C20H17N3O6/c1-10(2)23-18(25)13-6-4-3-5-12(13)16(22-23)17(24)21-15-9-11(19(26)27)7-8-14(15)20(28)29/h3-10H,1-2H3,(H,21,24)(H,26,27)(H,28,29)