(3-methylphenyl) 2-[3-[2-(3-methylphenoxy)-2-oxidanylidene-ethyl]-1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl]ethanoate

Systemtic Name: (3-methylphenyl) 2-[3-[2-(3-methylphenoxy)-2-oxidanylidene-ethyl]-1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl]ethanoate Openeye Name: m-tolyl 2-[3-[2-(3-methylphenoxy)-2-oxo-ethyl]-1-oxido-4-oxo-quinoxalin-4-ium-2-yl]acetate CAS Name: 2-[3-[2-(3-methylphenoxy)-2-oxoethyl]-1-oxido-4-oxo-2-quinoxalin-4-iumyl]acetic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 2-[3-[2-(3-methylphenoxy)-2-oxoethyl]-1-oxido-4-oxoquinoxalin-4-ium-2-yl]acetate Traditional Name: 2-[4-keto-3-[2-keto-2-(3-methylphenoxy)ethyl]-1-oxido-quinoxalin-4-ium-2-yl]acetic acid m-tolyl ester Formula: C26H22N2O6 MolecularWeight: 458.46268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(=O)CC2=C([N+](=O)C3=CC=CC=C3N2[O-])CC(=O)OC4=CC=CC(=C4)C

Isomeric SMILES

CC1=CC(=CC=C1)OC(=O)CC2=C([N+](=O)C3=CC=CC=C3N2[O-])CC(=O)OC4=CC=CC(=C4)C

InChI

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