[1-oxidanidyl-4-oxidanylidene-3-(2-phenylethanoyloxymethyl)quinoxalin-4-ium-2-yl]methyl 2-phenylethanoate

Systemtic Name: [1-oxidanidyl-4-oxidanylidene-3-(2-phenylethanoyloxymethyl)quinoxalin-4-ium-2-yl]methyl 2-phenylethanoate Openeye Name: [1-oxido-4-oxo-3-[(2-phenylacetyl)oxymethyl]quinoxalin-4-ium-2-yl]methyl 2-phenylacetate CAS Name: 2-phenylacetic acid [1-oxido-4-oxo-3-[(1-oxo-2-phenylethoxy)methyl]-2-quinoxalin-4-iumyl]methyl ester IUPAC Name: [1-oxido-4-oxo-3-[(2-phenylacetyl)oxymethyl]quinoxalin-4-ium-2-yl]methyl 2-phenylacetate Traditional Name: 2-phenylacetic acid [4-keto-1-oxido-3-[(2-phenylacetyl)oxymethyl]quinoxalin-4-ium-2-yl]methyl ester Formula: C26H22N2O6 MolecularWeight: 458.46268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)OCC2=C([N+](=O)C3=CC=CC=C3N2[O-])COC(=O)CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)OCC2=C([N+](=O)C3=CC=CC=C3N2[O-])COC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H22N2O6/c29-25(15-19-9-3-1-4-10-19)33-17-23-24(18-34-26(30)16-20-11-5-2-6-12-20)28(32)22-14-8-7-13-21(22)27(23)31/h1-14H,15-18H2