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

Systemtic Name: ethyl 7-ethoxy-1-oxidanidyl-3-(phenylcarbonyloxymethyl)quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 3-(benzoyloxymethyl)-7-ethoxy-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 3-(benzoyloxymethyl)-7-ethoxy-1-oxido-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-(benzoyloxymethyl)-7-ethoxy-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-(benzoyloxymethyl)-7-ethoxy-1-oxido-quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O6/c1-3-27-15-10-11-16-18(12-15)23(26)19(21(25)28-4-2)17(22-16)13-29-20(24)14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3