[4,5-bis(fluoranyl)-2-nitro-phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [4,5-bis(fluoranyl)-2-nitro-phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (4,5-difluoro-2-nitro-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: (4,5-difluoro-2-nitrophenyl)-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: (4,5-difluoro-2-nitrophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (4,5-difluoro-2-nitro-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C12H14F2N3O3+ MolecularWeight: 286.254666

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2[N+](=O)[O-])F)F

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2[N+](=O)[O-])F)F

InChI

InChI=1S/C12H13F2N3O3/c1-15-2-4-16(5-3-15)12(18)8-6-9(13)10(14)7-11(8)17(19)20/h6-7H,2-5H2,1H3/p+1