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

Systemtic Name: 2-(carboxymethyl)-2,4-bis(oxidanyl)-4-oxidanylidene-butanoate; dimethyl-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]azanium Openeye Name: 2-(carboxymethyl)-2,4-dihydroxy-4-oxo-butanoate; dimethyl-[2-(5-phenylisoxazol-3-yl)ethyl]ammonium CAS Name: 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; dimethyl-[2-(5-phenyl-3-isoxazolyl)ethyl]ammonium IUPAC Name: 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; dimethyl-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]azanium Traditional Name: 2-(carboxymethyl)-2,4-dihydroxy-4-keto-butyrate; dimethyl-[2-(5-phenylisoxazol-3-yl)ethyl]ammonium Formula: C19H24N2O8 MolecularWeight: 408.40246

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC1=NOC(=C1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O

Isomeric SMILES

C[NH+](C)CCC1=NOC(=C1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O

InChI

InChI=1S/C13H16N2O.C6H8O7/c1-15(2)9-8-12-10-13(16-14-12)11-6-4-3-5-7-11;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-7,10H,8-9H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)