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

Systemtic Name: N-[2-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]ethyl]-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[2-[4-(difluoromethoxy)-3-methoxy-phenyl]ethyl]-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-nitropyridin-1-ium-2-amine Traditional Name: 2-[4-(difluoromethoxy)-3-methoxy-phenyl]ethyl-(3-nitropyridin-1-ium-2-yl)amine Formula: C15H16F2N3O4+ MolecularWeight: 340.302046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCNC2=C(C=CC=[NH+]2)[N+](=O)[O-])OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)CCNC2=C(C=CC=[NH+]2)[N+](=O)[O-])OC(F)F

InChI

InChI=1S/C15H15F2N3O4/c1-23-13-9-10(4-5-12(13)24-15(16)17)6-8-19-14-11(20(21)22)3-2-7-18-14/h2-5,7,9,15H,6,8H2,1H3,(H,18,19)/p+1