methyl 3-[(3,5-dimethoxyphenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate

Systemtic Name: methyl 3-[(3,5-dimethoxyphenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 3-[(3,5-dimethoxybenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 3-[[(3,5-dimethoxyphenyl)-oxomethoxy]methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-[(3,5-dimethoxybenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-[(3,5-dimethoxybenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O7/c1-26-13-8-12(9-14(10-13)27-2)19(23)29-11-16-18(20(24)28-3)22(25)17-7-5-4-6-15(17)21-16/h4-10H,11H2,1-3H3