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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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