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

Systemtic Name: ethyl 7-methoxy-3-(3-methylbutanoyloxymethyl)-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H22N2O6 MolecularWeight: 362.37708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O6/c1-5-25-18(22)17-14(10-26-16(21)8-11(2)3)19-13-7-6-12(24-4)9-15(13)20(17)23/h6-7,9,11H,5,8,10H2,1-4H3