N'-(3-nitropyridin-1-ium-2-yl)-N-[2-nitro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine

Systemtic Name: N'-(3-nitropyridin-1-ium-2-yl)-N-[2-nitro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine Openeye Name: N'-(3-nitropyridin-1-ium-2-yl)-N-[2-nitro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine CAS Name: N'-(3-nitro-2-pyridin-1-iumyl)-N-[2-nitro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine IUPAC Name: N'-(3-nitropyridin-1-ium-2-yl)-N-[2-nitro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine Traditional Name: (3-nitropyridin-1-ium-2-yl)-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]amine Formula: C14H13F3N5O4+ MolecularWeight: 372.27933

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C([NH+]=C1)NCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C([NH+]=C1)NCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H12F3N5O4/c15-14(16,17)9-3-4-10(12(8-9)22(25)26)18-6-7-20-13-11(21(23)24)2-1-5-19-13/h1-5,8,18H,6-7H2,(H,19,20)/p+1