N-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methyl]-5-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methyl]-5-nitro-pyridin-1-ium-2-amine Openeye Name: N-[[4-(difluoromethoxy)-3-methoxy-phenyl]methyl]-5-nitro-pyridin-1-ium-2-amine CAS Name: N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-nitro-2-pyridin-1-iumamine IUPAC Name: N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-nitropyridin-1-ium-2-amine Traditional Name: [4-(difluoromethoxy)-3-methoxy-benzyl]-(5-nitropyridin-1-ium-2-yl)amine Formula: C14H14F2N3O4+ MolecularWeight: 326.275466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC2=[NH+]C=C(C=C2)[N+](=O)[O-])OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)CNC2=[NH+]C=C(C=C2)[N+](=O)[O-])OC(F)F

InChI

InChI=1S/C14H13F2N3O4/c1-22-12-6-9(2-4-11(12)23-14(15)16)7-17-13-5-3-10(8-18-13)19(20)21/h2-6,8,14H,7H2,1H3,(H,17,18)/p+1