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

Systemtic Name: 2-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]terephthalic acid Openeye Name: 2-[(3-butyl-4-oxo-phthalazine-1-carbonyl)amino]terephthalic acid CAS Name: 2-[[(3-butyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(3-butyl-4-oxophthalazine-1-carbonyl)amino]terephthalic acid Traditional Name: 2-[(3-butyl-4-keto-phthalazine-1-carbonyl)amino]terephthalic acid Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C21H19N3O6/c1-2-3-10-24-19(26)14-7-5-4-6-13(14)17(23-24)18(25)22-16-11-12(20(27)28)8-9-15(16)21(29)30/h4-9,11H,2-3,10H2,1H3,(H,22,25)(H,27,28)(H,29,30)