[4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 2-(4-methoxyphenyl)ethanoate

Systemtic Name: [4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 2-(4-methoxyphenyl)ethanoate Openeye Name: (3-benzoyl-4-oxido-quinoxalin-4-ium-2-yl)methyl 2-(4-methoxyphenyl)acetate CAS Name: 2-(4-methoxyphenyl)acetic acid (3-benzoyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-benzoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 2-(4-methoxyphenyl)acetate Traditional Name: 2-(4-methoxyphenyl)acetic acid (3-benzoyl-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C25H20N2O5 MolecularWeight: 428.4367

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)OCC2=NC3=CC=CC=C3[N+](=C2C(=O)C4=CC=CC=C4)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)OCC2=NC3=CC=CC=C3[N+](=C2C(=O)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C25H20N2O5/c1-31-19-13-11-17(12-14-19)15-23(28)32-16-21-24(25(29)18-7-3-2-4-8-18)27(30)22-10-6-5-9-20(22)26-21/h2-14H,15-16H2,1H3