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

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

Isomeric SMILES

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

InChI

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