1-[[2,6-bis(fluoranyl)phenyl]methoxy]-3-(4-bromophenyl)-4-oxidanidyl-quinoxalin-4-ium-2-one

Systemtic Name: 1-[[2,6-bis(fluoranyl)phenyl]methoxy]-3-(4-bromophenyl)-4-oxidanidyl-quinoxalin-4-ium-2-one Openeye Name: 3-(4-bromophenyl)-1-[(2,6-difluorophenyl)methoxy]-4-oxido-quinoxalin-4-ium-2-one CAS Name: 3-(4-bromophenyl)-1-[(2,6-difluorophenyl)methoxy]-4-oxido-2-quinoxalin-4-iumone IUPAC Name: 3-(4-bromophenyl)-1-[(2,6-difluorophenyl)methoxy]-4-oxidoquinoxalin-4-ium-2-one Traditional Name: 3-(4-bromophenyl)-1-(2,6-difluorobenzyl)oxy-4-oxido-quinoxalin-4-ium-2-one Formula: C21H13BrF2N2O3 MolecularWeight: 459.240326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)C(=[N+]2[O-])C3=CC=C(C=C3)Br)OCC4=C(C=CC=C4F)F

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)C(=[N+]2[O-])C3=CC=C(C=C3)Br)OCC4=C(C=CC=C4F)F

InChI

InChI=1S/C21H13BrF2N2O3/c22-14-10-8-13(9-11-14)20-21(27)26(19-7-2-1-6-18(19)25(20)28)29-12-15-16(23)4-3-5-17(15)24/h1-11H,12H2