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

Systemtic Name: ethyl 3-[(3,5-dimethoxyphenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O7/c1-4-29-21(25)19-17(22-16-7-5-6-8-18(16)23(19)26)12-30-20(24)13-9-14(27-2)11-15(10-13)28-3/h5-11H,4,12H2,1-3H3