methyl 6,7-bis(chloranyl)-3-(2,2-dimethylpropanoyloxymethyl)-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate

Systemtic Name: methyl 6,7-bis(chloranyl)-3-(2,2-dimethylpropanoyloxymethyl)-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 6,7-dichloro-3-(2,2-dimethylpropanoyloxymethyl)-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 6,7-dichloro-3-[(2,2-dimethyl-1-oxopropoxy)methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 6,7-dichloro-3-(2,2-dimethylpropanoyloxymethyl)-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 6,7-dichloro-1-oxido-3-(pivaloyloxymethyl)quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C16H16Cl2N2O5 MolecularWeight: 387.21464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC1=NC2=CC(=C(C=C2[N+](=C1C(=O)OC)[O-])Cl)Cl

Isomeric SMILES

CC(C)(C)C(=O)OCC1=NC2=CC(=C(C=C2[N+](=C1C(=O)OC)[O-])Cl)Cl

InChI

InChI=1S/C16H16Cl2N2O5/c1-16(2,3)15(22)25-7-11-13(14(21)24-4)20(23)12-6-9(18)8(17)5-10(12)19-11/h5-6H,7H2,1-4H3