ethyl 6,7-bis(chloranyl)-3-[(2-ethoxyphenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate

Systemtic Name: ethyl 6,7-bis(chloranyl)-3-[(2-ethoxyphenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 6,7-dichloro-3-[(2-ethoxybenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 6,7-dichloro-3-[[(2-ethoxyphenyl)-oxomethoxy]methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dichloro-3-[(2-ethoxybenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 6,7-dichloro-3-[(2-ethoxybenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C21H18Cl2N2O6 MolecularWeight: 465.28342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)OCC2=NC3=CC(=C(C=C3[N+](=C2C(=O)OCC)[O-])Cl)Cl

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)OCC2=NC3=CC(=C(C=C3[N+](=C2C(=O)OCC)[O-])Cl)Cl

InChI

InChI=1S/C21H18Cl2N2O6/c1-3-29-18-8-6-5-7-12(18)20(26)31-11-16-19(21(27)30-4-2)25(28)17-10-14(23)13(22)9-15(17)24-16/h5-10H,3-4,11H2,1-2H3