2-(carboxymethyl)-2,4-bis(oxidanyl)-4-oxidanylidene-butanoate; diethyl-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]azanium

Systemtic Name: 2-(carboxymethyl)-2,4-bis(oxidanyl)-4-oxidanylidene-butanoate; diethyl-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]azanium Openeye Name: 2-(carboxymethyl)-2,4-dihydroxy-4-oxo-butanoate; diethyl-[2-(3-phenylisoxazol-5-yl)ethyl]ammonium CAS Name: 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; diethyl-[2-(3-phenyl-5-isoxazolyl)ethyl]ammonium IUPAC Name: 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; diethyl-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]azanium Traditional Name: 2-(carboxymethyl)-2,4-dihydroxy-4-keto-butyrate; diethyl-[2-(3-phenylisoxazol-5-yl)ethyl]ammonium Formula: C21H28N2O8 MolecularWeight: 436.45562

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC1=CC(=NO1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O

Isomeric SMILES

CC[NH+](CC)CCC1=CC(=NO1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O

InChI

InChI=1S/C15H20N2O.C6H8O7/c1-3-17(4-2)11-10-14-12-15(16-18-14)13-8-6-5-7-9-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-9,12H,3-4,10-11H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)