3-[[5-fluoranyl-1-oxidanyl-1,4-bis(oxidanylidene)pentan-3-yl]carbamoyl]benzoic acid

Systemtic Name: 3-[[5-fluoranyl-1-oxidanyl-1,4-bis(oxidanylidene)pentan-3-yl]carbamoyl]benzoic acid Openeye Name: 3-[[1-(carboxymethyl)-3-fluoro-2-oxo-propyl]carbamoyl]benzoic acid CAS Name: 3-[[(5-fluoro-1-hydroxy-1,4-dioxopentan-3-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 3-[(5-fluoro-1-hydroxy-1,4-dioxopentan-3-yl)carbamoyl]benzoic acid Traditional Name: 3-[[1-(carboxymethyl)-3-fluoro-2-keto-propyl]carbamoyl]benzoic acid Formula: C13H12FNO6 MolecularWeight: 297.235883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C(=O)NC(CC(=O)O)C(=O)CF

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C(=O)NC(CC(=O)O)C(=O)CF

InChI

InChI=1S/C13H12FNO6/c14-6-10(16)9(5-11(17)18)15-12(19)7-2-1-3-8(4-7)13(20)21/h1-4,9H,5-6H2,(H,15,19)(H,17,18)(H,20,21)