[4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 3,4-dimethoxybenzoate

Systemtic Name: [4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 3,4-dimethoxybenzoate Openeye Name: (3-benzoyl-4-oxido-quinoxalin-4-ium-2-yl)methyl 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid (3-benzoyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-benzoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid (3-benzoyl-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C25H20N2O6 MolecularWeight: 444.4361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20N2O6/c1-31-21-13-12-17(14-22(21)32-2)25(29)33-15-19-23(24(28)16-8-4-3-5-9-16)27(30)20-11-7-6-10-18(20)26-19/h3-14H,15H2,1-2H3