1-[1-[2,4-bis(oxidanyl)phenyl]ethylidene]-4-oxidanyl-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: 1-[1-[2,4-bis(oxidanyl)phenyl]ethylidene]-4-oxidanyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: 1-[1-(2,4-dihydroxyphenyl)ethylidene]-4-hydroxy-pyrrolidin-1-ium-2-carboxylate CAS Name: 1-[1-(2,4-dihydroxyphenyl)ethylidene]-4-hydroxy-2-pyrrolidin-1-iumcarboxylate IUPAC Name: 1-[1-(2,4-dihydroxyphenyl)ethylidene]-4-hydroxypyrrolidin-1-ium-2-carboxylate Traditional Name: 1-[1-(2,4-dihydroxyphenyl)ethylidene]-4-hydroxy-pyrrolidin-1-ium-2-carboxylate Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[N+]1CC(CC1C(=O)[O-])O)C2=C(C=C(C=C2)O)O

Isomeric SMILES

CC(=[N+]1CC(CC1C(=O)[O-])O)C2=C(C=C(C=C2)O)O

InChI

InChI=1S/C13H15NO5/c1-7(10-3-2-8(15)5-12(10)17)14-6-9(16)4-11(14)13(18)19/h2-3,5,9,11,16H,4,6H2,1H3,(H2,15,17,18,19)