2-[(5-fluoranyl-1-benzofuran-2-yl)carbonyl]piperazine-1,4-dicarboxylic acid

Systemtic Name: 2-[(5-fluoranyl-1-benzofuran-2-yl)carbonyl]piperazine-1,4-dicarboxylic acid Openeye Name: 2-(5-fluorobenzofuran-2-carbonyl)piperazine-1,4-dicarboxylic acid CAS Name: 2-[(5-fluoro-2-benzofuranyl)-oxomethyl]piperazine-1,4-dicarboxylic acid IUPAC Name: 2-(5-fluoro-1-benzofuran-2-carbonyl)piperazine-1,4-dicarboxylic acid Traditional Name: 2-(5-fluorobenzofuran-2-carbonyl)piperazine-1,4-dicarboxylic acid Formula: C15H13FN2O6 MolecularWeight: 336.271923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)O)C(=O)C2=CC3=C(O2)C=CC(=C3)F)C(=O)O

Isomeric SMILES

C1CN(C(CN1C(=O)O)C(=O)C2=CC3=C(O2)C=CC(=C3)F)C(=O)O

InChI

InChI=1S/C15H13FN2O6/c16-9-1-2-11-8(5-9)6-12(24-11)13(19)10-7-17(14(20)21)3-4-18(10)15(22)23/h1-2,5-6,10H,3-4,7H2,(H,20,21)(H,22,23)