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

Systemtic Name: ethyl 3-(2-methylpropanoyloxymethyl)-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 3-(2-methylpropanoyloxymethyl)-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-(isobutyryloxymethyl)-1-oxido-quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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