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

Systemtic Name: ethyl 6,7-bis(chloranyl)-3-(2,2-dimethylpropanoyloxymethyl)-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H18Cl2N2O5 MolecularWeight: 401.24122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](C2=CC(=C(C=C2N=C1COC(=O)C(C)(C)C)Cl)Cl)[O-]

Isomeric SMILES

CCOC(=O)C1=[N+](C2=CC(=C(C=C2N=C1COC(=O)C(C)(C)C)Cl)Cl)[O-]

InChI

InChI=1S/C17H18Cl2N2O5/c1-5-25-15(22)14-12(8-26-16(23)17(2,3)4)20-11-6-9(18)10(19)7-13(11)21(14)24/h6-7H,5,8H2,1-4H3