[6-ethoxy-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 2-methoxyethanoate

Systemtic Name: [6-ethoxy-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 2-methoxyethanoate Openeye Name: (3-benzoyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl 2-methoxyacetate CAS Name: 2-methoxyacetic acid (3-benzoyl-6-ethoxy-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-benzoyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 2-methoxyacetate Traditional Name: 2-methoxyacetic acid (3-benzoyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl 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)C3=CC=CC=C3)COC(=O)COC

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O6/c1-3-28-15-9-10-16-18(11-15)23(26)20(21(25)14-7-5-4-6-8-14)17(22-16)12-29-19(24)13-27-2/h4-11H,3,12-13H2,1-2H3