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

Systemtic Name: 2-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]pentanedioic acid hydrate Openeye Name: 2-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]pentanedioic acid hydrate CAS Name: 2-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]pentanedioic acid hydrate IUPAC Name: 2-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]pentanedioic acid hydrate Traditional Name: 2-[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]glutaric acid hydrate Formula: C15H17N3O7 MolecularWeight: 351.31138

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(CCC(=O)O)C(=O)O.O

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(CCC(=O)O)C(=O)O.O

InChI

InChI=1S/C15H15N3O6.H2O/c1-18-14(22)9-5-3-2-4-8(9)12(17-18)13(21)16-10(15(23)24)6-7-11(19)20;/h2-5,10H,6-7H2,1H3,(H,16,21)(H,19,20)(H,23,24);1H2