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

Systemtic Name: methyl 7-ethoxy-3-(2-methylpropanoyloxymethyl)-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 7-ethoxy-3-(2-methylpropanoyloxymethyl)-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 7-ethoxy-3-[(2-methyl-1-oxopropoxy)methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 7-ethoxy-3-(2-methylpropanoyloxymethyl)-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 7-ethoxy-3-(isobutyryloxymethyl)-1-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C17H20N2O6 MolecularWeight: 348.3505

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O6/c1-5-24-11-6-7-12-14(8-11)19(22)15(17(21)23-4)13(18-12)9-25-16(20)10(2)3/h6-8,10H,5,9H2,1-4H3