methyl 3-(2,2-dimethylpropanoyloxymethyl)-7-methoxy-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate

Systemtic Name: methyl 3-(2,2-dimethylpropanoyloxymethyl)-7-methoxy-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 3-(2,2-dimethylpropanoyloxymethyl)-7-methoxy-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 3-[(2,2-dimethyl-1-oxopropoxy)methyl]-7-methoxy-1-oxido-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-(2,2-dimethylpropanoyloxymethyl)-7-methoxy-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 7-methoxy-1-oxido-3-(pivaloyloxymethyl)quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C17H20N2O6 MolecularWeight: 348.3505

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O6/c1-17(2,3)16(21)25-9-12-14(15(20)24-5)19(22)13-8-10(23-4)6-7-11(13)18-12/h6-8H,9H2,1-5H3