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

Systemtic Name: methyl 3-(2,2-dimethylpropanoyloxymethyl)-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 3-(2,2-dimethylpropanoyloxymethyl)-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 1-oxido-3-(pivaloyloxymethyl)quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC1=NC2=CC=CC=C2[N+](=C1C(=O)OC)[O-]

Isomeric SMILES

CC(C)(C)C(=O)OCC1=NC2=CC=CC=C2[N+](=C1C(=O)OC)[O-]

InChI

InChI=1S/C16H18N2O5/c1-16(2,3)15(20)23-9-11-13(14(19)22-4)18(21)12-8-6-5-7-10(12)17-11/h5-8H,9H2,1-4H3