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

Systemtic Name: methyl 7-ethoxy-1-oxidanidyl-3-(phenylcarbonyloxymethyl)quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 3-(benzoyloxymethyl)-7-ethoxy-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 3-(benzoyloxymethyl)-7-ethoxy-1-oxido-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-(benzoyloxymethyl)-7-ethoxy-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-(benzoyloxymethyl)-7-ethoxy-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=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)OC)COC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)OC)COC(=O)C3=CC=CC=C3

InChI

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