4-oxidanylidene-3-[2-oxidanylidene-2-[2-(2-oxidanylidenepyrrolidin-1-yl)ethanoylamino]ethyl]phthalazine-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[2-(2-oxidanylidenepyrrolidin-1-yl)ethanoylamino]ethyl]phthalazine-1-carboxylic acid Openeye Name: 4-oxo-3-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[2-oxo-2-[[1-oxo-2-(2-oxo-1-pyrrolidinyl)ethyl]amino]ethyl]-1-phthalazinecarboxylic acid IUPAC Name: 4-oxo-3-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]phthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-[[2-(2-ketopyrrolidino)acetyl]amino]ethyl]phthalazine-1-carboxylic acid Formula: C17H16N4O6 MolecularWeight: 372.33214

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC(=O)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

C1CC(=O)N(C1)CC(=O)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C17H16N4O6/c22-12(8-20-7-3-6-14(20)24)18-13(23)9-21-16(25)11-5-2-1-4-10(11)15(19-21)17(26)27/h1-2,4-5H,3,6-9H2,(H,26,27)(H,18,22,23)