ethyl 3-(2,2-dimethylpropanoyloxymethyl)-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate

Systemtic Name: ethyl 3-(2,2-dimethylpropanoyloxymethyl)-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 3-(2,2-dimethylpropanoyloxymethyl)-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 3-[(2,2-dimethyl-1-oxopropoxy)methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-(2,2-dimethylpropanoyloxymethyl)-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 1-oxido-3-(pivaloyloxymethyl)quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C17H20N2O5 MolecularWeight: 332.3511

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C(C)(C)C)[O-]

Isomeric SMILES

CCOC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C(C)(C)C)[O-]

InChI

InChI=1S/C17H20N2O5/c1-5-23-15(20)14-12(10-24-16(21)17(2,3)4)18-11-8-6-7-9-13(11)19(14)22/h6-9H,5,10H2,1-4H3