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

Systemtic Name: methyl 3-[(2-methylphenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 3-[(2-methylbenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 3-[[(2-methylphenyl)-oxomethoxy]methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-methylbenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-(o-toluoyloxymethyl)-1-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C19H16N2O5 MolecularWeight: 352.34074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OCC2=NC3=CC=CC=C3[N+](=C2C(=O)OC)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)OCC2=NC3=CC=CC=C3[N+](=C2C(=O)OC)[O-]

InChI

InChI=1S/C19H16N2O5/c1-12-7-3-4-8-13(12)18(22)26-11-15-17(19(23)25-2)21(24)16-10-6-5-9-14(16)20-15/h3-10H,11H2,1-2H3