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

Systemtic Name: methyl 7-ethoxy-3-(3-methylbutanoyloxymethyl)-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 7-ethoxy-3-(3-methylbutanoyloxymethyl)-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 7-ethoxy-3-[(3-methyl-1-oxobutoxy)methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 7-ethoxy-3-(3-methylbutanoyloxymethyl)-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 7-ethoxy-3-(isovaleryloxymethyl)-1-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C18H22N2O6 MolecularWeight: 362.37708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)OC)COC(=O)CC(C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)OC)COC(=O)CC(C)C

InChI

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