methyl 3-(2-methylpropanoyloxymethyl)-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate

Systemtic Name: methyl 3-(2-methylpropanoyloxymethyl)-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 3-(2-methylpropanoyloxymethyl)-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 3-[(2-methyl-1-oxopropoxy)methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylpropanoyloxymethyl)-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-(isobutyryloxymethyl)-1-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C15H16N2O5 MolecularWeight: 304.29794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O5/c1-9(2)14(18)22-8-11-13(15(19)21-3)17(20)12-7-5-4-6-10(12)16-11/h4-7,9H,8H2,1-3H3