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

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]ethyl]phthalazine-1-carboxylic acid Openeye Name: 4-oxo-3-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[2-oxo-2-[3-(2-oxo-1-pyrrolidinyl)anilino]ethyl]-1-phthalazinecarboxylic acid IUPAC Name: 4-oxo-3-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]phthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-[3-(2-ketopyrrolidino)anilino]ethyl]phthalazine-1-carboxylic acid Formula: C21H18N4O5 MolecularWeight: 406.39142

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC(=CC=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

C1CC(=O)N(C1)C2=CC(=CC=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C21H18N4O5/c26-17(22-13-5-3-6-14(11-13)24-10-4-9-18(24)27)12-25-20(28)16-8-2-1-7-15(16)19(23-25)21(29)30/h1-3,5-8,11H,4,9-10,12H2,(H,22,26)(H,29,30)