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

Systemtic Name: ethyl 6,7-bis(chloranyl)-3-(3-methylbutanoyloxymethyl)-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 6,7-dichloro-3-(3-methylbutanoyloxymethyl)-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 6,7-dichloro-3-[(3-methyl-1-oxobutoxy)methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dichloro-3-(3-methylbutanoyloxymethyl)-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 6,7-dichloro-3-(isovaleryloxymethyl)-1-oxido-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)CC(C)C)Cl)Cl)[O-]

Isomeric SMILES

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

InChI

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