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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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