1-(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid hydrate

Systemtic Name: 1-(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid hydrate Openeye Name: 4-hydroxy-1-(3-methyl-4-oxo-phthalazine-1-carbonyl)pyrrolidine-2-carboxylic acid hydrate CAS Name: 4-hydroxy-1-[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]-2-pyrrolidinecarboxylic acid hydrate IUPAC Name: 4-hydroxy-1-(3-methyl-4-oxophthalazine-1-carbonyl)pyrrolidine-2-carboxylic acid hydrate Traditional Name: 4-hydroxy-1-(4-keto-3-methyl-phthalazine-1-carbonyl)proline hydrate Formula: C15H17N3O6 MolecularWeight: 335.31198

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC(CC3C(=O)O)O.O

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC(CC3C(=O)O)O.O

InChI

InChI=1S/C15H15N3O5.H2O/c1-17-13(20)10-5-3-2-4-9(10)12(16-17)14(21)18-7-8(19)6-11(18)15(22)23;/h2-5,8,11,19H,6-7H2,1H3,(H,22,23);1H2