methyl 3-[(2-ethoxyphenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate

Systemtic Name: methyl 3-[(2-ethoxyphenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 3-[(2-ethoxybenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 3-[[(2-ethoxyphenyl)-oxomethoxy]methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-ethoxybenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-[(2-ethoxybenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O6/c1-3-27-17-11-7-4-8-13(17)19(23)28-12-15-18(20(24)26-2)22(25)16-10-6-5-9-14(16)21-15/h4-11H,3,12H2,1-2H3