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

Systemtic Name: methyl 3-(2,2-dimethylpropanoyloxymethyl)-7-ethoxy-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 3-(2,2-dimethylpropanoyloxymethyl)-7-ethoxy-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 3-[(2,2-dimethyl-1-oxopropoxy)methyl]-7-ethoxy-1-oxido-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-(2,2-dimethylpropanoyloxymethyl)-7-ethoxy-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 7-ethoxy-1-oxido-3-(pivaloyloxymethyl)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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O6/c1-6-25-11-7-8-12-14(9-11)20(23)15(16(21)24-5)13(19-12)10-26-17(22)18(2,3)4/h7-9H,6,10H2,1-5H3