ethyl 6,7-bis(chloranyl)-3-[(3,4-dimethoxyphenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate

Systemtic Name: ethyl 6,7-bis(chloranyl)-3-[(3,4-dimethoxyphenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 6,7-dichloro-3-[(3,4-dimethoxybenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 6,7-dichloro-3-[[(3,4-dimethoxyphenyl)-oxomethoxy]methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dichloro-3-[(3,4-dimethoxybenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 6,7-dichloro-1-oxido-3-(veratroyloxymethyl)quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C21H18Cl2N2O7 MolecularWeight: 481.28282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](C2=CC(=C(C=C2N=C1COC(=O)C3=CC(=C(C=C3)OC)OC)Cl)Cl)[O-]

Isomeric SMILES

CCOC(=O)C1=[N+](C2=CC(=C(C=C2N=C1COC(=O)C3=CC(=C(C=C3)OC)OC)Cl)Cl)[O-]

InChI

InChI=1S/C21H18Cl2N2O7/c1-4-31-21(27)19-15(24-14-8-12(22)13(23)9-16(14)25(19)28)10-32-20(26)11-5-6-17(29-2)18(7-11)30-3/h5-9H,4,10H2,1-3H3