[6-methoxy-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 3-methoxybenzoate

Systemtic Name: [6-methoxy-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 3-methoxybenzoate Openeye Name: (3-benzoyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid (3-benzoyl-6-methoxy-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-benzoyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid (3-benzoyl-6-methoxy-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=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)C3=CC=CC=C3)COC(=O)C4=CC(=CC=C4)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)C3=CC=CC=C3)COC(=O)C4=CC(=CC=C4)OC

InChI

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