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

Systemtic Name: 2-[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]terephthalic acid Openeye Name: 2-[(3-ethyl-4-oxo-phthalazine-1-carbonyl)amino]terephthalic acid CAS Name: 2-[[(3-ethyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]terephthalic acid Traditional Name: 2-[(3-ethyl-4-keto-phthalazine-1-carbonyl)amino]terephthalic acid Formula: C19H15N3O6 MolecularWeight: 381.3389

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C19H15N3O6/c1-2-22-17(24)12-6-4-3-5-11(12)15(21-22)16(23)20-14-9-10(18(25)26)7-8-13(14)19(27)28/h3-9H,2H2,1H3,(H,20,23)(H,25,26)(H,27,28)