6,7-bis(fluoranyl)-3-methyl-4-oxidanidyl-1-oxidanyl-N-(phenylmethyl)quinoxalin-4-ium-2-imine

Systemtic Name: 6,7-bis(fluoranyl)-3-methyl-4-oxidanidyl-1-oxidanyl-N-(phenylmethyl)quinoxalin-4-ium-2-imine Openeye Name: N-benzyl-6,7-difluoro-1-hydroxy-3-methyl-4-oxido-quinoxalin-4-ium-2-imine CAS Name: 6,7-difluoro-1-hydroxy-3-methyl-4-oxido-N-(phenylmethyl)-2-quinoxalin-4-iumimine IUPAC Name: N-benzyl-6,7-difluoro-1-hydroxy-3-methyl-4-oxidoquinoxalin-4-ium-2-imine Traditional Name: benzyl-(6,7-difluoro-1-hydroxy-3-methyl-4-oxido-quinoxalin-4-ium-2-ylidene)amine Formula: C16H13F2N3O2 MolecularWeight: 317.290126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC(=C(C=C2N(C1=NCC3=CC=CC=C3)O)F)F)[O-]

Isomeric SMILES

CC1=[N+](C2=CC(=C(C=C2N(C1=NCC3=CC=CC=C3)O)F)F)[O-]

InChI

InChI=1S/C16H13F2N3O2/c1-10-16(19-9-11-5-3-2-4-6-11)21(23)15-8-13(18)12(17)7-14(15)20(10)22/h2-8,23H,9H2,1H3