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

Systemtic Name: ethyl 3-(3-methylbutanoyloxymethyl)-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 3-(3-methylbutanoyloxymethyl)-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 3-[(3-methyl-1-oxobutoxy)methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-(3-methylbutanoyloxymethyl)-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-(isovaleryloxymethyl)-1-oxido-quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5/c1-4-23-17(21)16-13(10-24-15(20)9-11(2)3)18-12-7-5-6-8-14(12)19(16)22/h5-8,11H,4,9-10H2,1-3H3