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

Systemtic Name: methyl 1-(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylate hydrate Openeye Name: methyl 4-hydroxy-1-(3-methyl-4-oxo-phthalazine-1-carbonyl)pyrrolidine-2-carboxylate hydrate CAS Name: 4-hydroxy-1-[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester hydrate IUPAC Name: methyl 4-hydroxy-1-(3-methyl-4-oxophthalazine-1-carbonyl)pyrrolidine-2-carboxylate hydrate Traditional Name: 4-hydroxy-1-(4-keto-3-methyl-phthalazine-1-carbonyl)pyrrolidine-2-carboxylic acid methyl ester hydrate Formula: C16H19N3O6 MolecularWeight: 349.33856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O5.H2O/c1-18-14(21)11-6-4-3-5-10(11)13(17-18)15(22)19-8-9(20)7-12(19)16(23)24-2;/h3-6,9,12,20H,7-8H2,1-2H3;1H2