[3-[(4-methylphenyl)carbonyloxymethyl]-1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl]methyl 4-methylbenzoate

Systemtic Name: [3-[(4-methylphenyl)carbonyloxymethyl]-1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl]methyl 4-methylbenzoate Openeye Name: [3-[(4-methylbenzoyl)oxymethyl]-1-oxido-4-oxo-quinoxalin-4-ium-2-yl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [3-[[(4-methylphenyl)-oxomethoxy]methyl]-1-oxido-4-oxo-2-quinoxalin-4-iumyl]methyl ester IUPAC Name: [3-[(4-methylbenzoyl)oxymethyl]-1-oxido-4-oxoquinoxalin-4-ium-2-yl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-keto-1-oxido-3-(p-toluoyloxymethyl)quinoxalin-4-ium-2-yl]methyl ester Formula: C26H22N2O6 MolecularWeight: 458.46268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2=C([N+](=O)C3=CC=CC=C3N2[O-])COC(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC2=C([N+](=O)C3=CC=CC=C3N2[O-])COC(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H22N2O6/c1-17-7-11-19(12-8-17)25(29)33-15-23-24(16-34-26(30)20-13-9-18(2)10-14-20)28(32)22-6-4-3-5-21(22)27(23)31/h3-14H,15-16H2,1-2H3