3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoate; diethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]azanium

Systemtic Name: 3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoate; diethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]azanium Openeye Name: 3-carboxy-3,5-dihydroxy-5-oxo-pentanoate; diethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]ammonium CAS Name: 3-carboxy-3,5-dihydroxy-5-oxopentanoate; diethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]ammonium IUPAC Name: 3-carboxy-3,5-dihydroxy-5-oxopentanoate; diethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]azanium Traditional Name: 3-carboxy-3,5-dihydroxy-5-keto-valerate; diethyl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]ammonium Formula: C20H27N3O8 MolecularWeight: 437.44368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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