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

Systemtic Name: 2-(carboxymethyl)-2,4-bis(oxidanyl)-4-oxidanylidene-butanoate; diethyl-[2-(3-pyridin-3-yl-1,2-oxazol-5-yl)ethyl]azanium Openeye Name: 2-(carboxymethyl)-2,4-dihydroxy-4-oxo-butanoate; diethyl-[2-[3-(3-pyridyl)isoxazol-5-yl]ethyl]ammonium CAS Name: 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; diethyl-[2-[3-(3-pyridinyl)-5-isoxazolyl]ethyl]ammonium IUPAC Name: 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; diethyl-[2-(3-pyridin-3-yl-1,2-oxazol-5-yl)ethyl]azanium Traditional Name: 2-(carboxymethyl)-2,4-dihydroxy-4-keto-butyrate; diethyl-[2-[3-(3-pyridyl)isoxazol-5-yl]ethyl]ammonium Formula: C20H27N3O8 MolecularWeight: 437.44368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O.C6H8O7/c1-3-17(4-2)9-7-13-10-14(16-18-13)12-6-5-8-15-11-12;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-6,8,10-11H,3-4,7,9H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)