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

Systemtic Name: 2-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]terephthalic acid Openeye Name: 2-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]terephthalic acid CAS Name: 2-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]terephthalic acid Traditional Name: 2-[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]terephthalic acid Formula: C18H13N3O6 MolecularWeight: 367.31232

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C18H13N3O6/c1-21-16(23)11-5-3-2-4-10(11)14(20-21)15(22)19-13-8-9(17(24)25)6-7-12(13)18(26)27/h2-8H,1H3,(H,19,22)(H,24,25)(H,26,27)