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

Systemtic Name: methyl 6,7-bis(chloranyl)-3-(2-methylpropanoyloxymethyl)-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C15H14Cl2N2O5 MolecularWeight: 373.18806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14Cl2N2O5/c1-7(2)14(20)24-6-11-13(15(21)23-3)19(22)12-5-9(17)8(16)4-10(12)18-11/h4-5,7H,6H2,1-3H3