4-[[4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-phenyl]methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[[4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-phenyl]methyl]piperazin-4-ium-2-one Openeye Name: 4-[[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]methyl]piperazin-4-ium-2-one CAS Name: 4-[[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl]-2-piperazin-4-iumone IUPAC Name: 4-[[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl]piperazin-4-ium-2-one Traditional Name: 4-[4-(difluoromethoxy)-5-methoxy-2-nitro-benzyl]piperazin-4-ium-2-one Formula: C13H16F2N3O5+ MolecularWeight: 332.280046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH+]2CCNC(=O)C2)[N+](=O)[O-])OC(F)F

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH+]2CCNC(=O)C2)[N+](=O)[O-])OC(F)F

InChI

InChI=1S/C13H15F2N3O5/c1-22-10-4-8(6-17-3-2-16-12(19)7-17)9(18(20)21)5-11(10)23-13(14)15/h4-5,13H,2-3,6-7H2,1H3,(H,16,19)/p+1