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

Systemtic Name: methyl 6,7-bis(chloranyl)-3-[(3,4-dimethoxyphenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H16Cl2N2O7 MolecularWeight: 467.25624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC(=C(C=C3[N+](=C2C(=O)OC)[O-])Cl)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC(=C(C=C3[N+](=C2C(=O)OC)[O-])Cl)Cl)OC

InChI

InChI=1S/C20H16Cl2N2O7/c1-28-16-5-4-10(6-17(16)29-2)19(25)31-9-14-18(20(26)30-3)24(27)15-8-12(22)11(21)7-13(15)23-14/h4-8H,9H2,1-3H3