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

Systemtic Name: methyl 7-methoxy-3-(3-methylbutanoyloxymethyl)-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 7-methoxy-3-(3-methylbutanoyloxymethyl)-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 7-methoxy-3-[(3-methyl-1-oxobutoxy)methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 7-methoxy-3-(3-methylbutanoyloxymethyl)-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-(isovaleryloxymethyl)-7-methoxy-1-oxido-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)CC(=O)OCC1=NC2=C(C=C(C=C2)OC)[N+](=C1C(=O)OC)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O6/c1-10(2)7-15(20)25-9-13-16(17(21)24-4)19(22)14-8-11(23-3)5-6-12(14)18-13/h5-6,8,10H,7,9H2,1-4H3