[6-ethoxy-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 4-fluoranylbenzoate

Systemtic Name: [6-ethoxy-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl 4-fluoranylbenzoate Openeye Name: (3-benzoyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid (3-benzoyl-6-ethoxy-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-benzoyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid (3-benzoyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C25H19FN2O5 MolecularWeight: 446.427163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)C3=CC=CC=C3)COC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)C3=CC=CC=C3)COC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H19FN2O5/c1-2-32-19-12-13-20-22(14-19)28(31)23(24(29)16-6-4-3-5-7-16)21(27-20)15-33-25(30)17-8-10-18(26)11-9-17/h3-14H,2,15H2,1H3