sodium 2-[3,4-bis(oxidanyl)phenyl]-2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]ethanoate

Systemtic Name: sodium 2-[3,4-bis(oxidanyl)phenyl]-2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]ethanoate Openeye Name: sodium 2-(3,4-dihydroxyphenyl)-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]acetate CAS Name: sodium 2-(3,4-dihydroxyphenyl)-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]acetate IUPAC Name: sodium 2-(3,4-dihydroxyphenyl)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetate Traditional Name: sodium 2-(3,4-dihydroxyphenyl)-2-[(4-ethyl-2,3-diketo-piperazine-1-carbonyl)amino]acetate Formula: C15H16N3NaO7 MolecularWeight: 373.29321

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC(=C(C=C2)O)O)C(=O)[O-].[Na+]

Isomeric SMILES

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC(=C(C=C2)O)O)C(=O)[O-].[Na+]

InChI

InChI=1S/C15H17N3O7.Na/c1-2-17-5-6-18(13(22)12(17)21)15(25)16-11(14(23)24)8-3-4-9(19)10(20)7-8;/h3-4,7,11,19-20H,2,5-6H2,1H3,(H,16,25)(H,23,24);/q;+1/p-1