2-[[4-(2,2-dimethylpropanoylamino)phenyl]carbonylamino]ethyl-diethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 2-[[4-(2,2-dimethylpropanoylamino)phenyl]carbonylamino]ethyl-diethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]ethyl-diethyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 2-[[[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-oxomethyl]amino]ethyl-diethylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 2-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]ethyl-diethylazanium; 2-hydroxy-2-oxoacetate Traditional Name: diethyl-[2-[[4-(pivaloylamino)benzoyl]amino]ethyl]ammonium binoxalate Formula: C20H31N3O6 MolecularWeight: 409.47664

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C(C)(C)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C(C)(C)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C18H29N3O2.C2H2O4/c1-6-21(7-2)13-12-19-16(22)14-8-10-15(11-9-14)20-17(23)18(3,4)5;3-1(4)2(5)6/h8-11H,6-7,12-13H2,1-5H3,(H,19,22)(H,20,23);(H,3,4)(H,5,6)