methyl 7-methoxy-1-oxidanidyl-3-(phenylcarbonyloxymethyl)quinoxalin-1-ium-2-carboxylate

Systemtic Name: methyl 7-methoxy-1-oxidanidyl-3-(phenylcarbonyloxymethyl)quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 3-(benzoyloxymethyl)-7-methoxy-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 3-(benzoyloxymethyl)-7-methoxy-1-oxido-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-(benzoyloxymethyl)-7-methoxy-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-(benzoyloxymethyl)-7-methoxy-1-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C19H16N2O6 MolecularWeight: 368.34014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)OC)COC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)OC)COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H16N2O6/c1-25-13-8-9-14-16(10-13)21(24)17(19(23)26-2)15(20-14)11-27-18(22)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3